N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

C131H144ClF5N46O14 — CID 158285557

IUPACN-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESC=O.CCN(C)C(=O)Nc1cn[nH]c1-c1nc2cc(F)c(C)cc2[nH]1.CCN(CC)C(=O)Nc1cn[nH]c1-c1nc2ccc(OC(F)F)cc2[nH]1.CN(C)C(=O)Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2cc(Cl)c(CO)cc2[nH]1)C1CC1.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)CCC3)C1CC1.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)CCC3)N1CCCCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1)N1CCCCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(OC(F)F)cc2[nH]1)N1CCCCC1
InChIInChI=1S/C19H22N6O.C17H18F2N6O2.C17H20N6O2.C17H17N5O.C16H18F2N6O2.C15H14ClN5O2.C15H17FN6O.C14H16N6O2.CH2O/c26-19(25-7-2-1-3-8-25)23-16-11-20-24-17(16)18-21-14-9-12-5-4-6-13(12)10-15(14)22-18;18-16(19)27-10-4-5-11-12(8-10)22-15(21-11)14-13(9-20-24-14)23-17(26)25-6-2-1-3-7-25;24-10-11-4-5-12-13(8-11)20-16(19-12)15-14(9-18-22-15)21-17(25)23-6-2-1-3-7-23;23-17(9-4-5-9)21-14-8-18-22-15(14)16-19-12-6-10-2-1-3-11(10)7-13(12)20-16;1-3-24(4-2)16(25)22-12-8-19-23-13(12)14-20-10-6-5-9(26-15(17)18)7-11(10)21-14;16-9-4-11-10(3-8(9)6-22)18-14(19-11)13-12(5-17-21-13)20-15(23)7-1-2-7;1-4-22(3)15(23)20-12-7-17-21-13(12)14-18-10-5-8(2)9(16)6-11(10)19-14;1-20(2)14(22)18-11-6-15-19-12(11)13-16-9-4-3-8(7-21)5-10(9)17-13;1-2/h9-11H,1-8H2,(H,20,24)(H,21,22)(H,23,26);4-5,8-9,16H,1-3,6-7H2,(H,20,24)(H,21,22)(H,23,26);4-5,8-9,24H,1-3,6-7,10H2,(H,18,22)(H,19,20)(H,21,25);6-9H,1-5H2,(H,18,22)(H,19,20)(H,21,23);5-8,15H,3-4H2,1-2H3,(H,19,23)(H,20,21)(H,22,25);3-5,7,22H,1-2,6H2,(H,17,21)(H,18,19)(H,20,23);5-7H,4H2,1-3H3,(H,17,21)(H,18,19)(H,20,23);3-6,21H,7H2,1-2H3,(H,15,19)(H,16,17)(H,18,22);1H2
InChIKeyGKSURMLGORNKRP-UHFFFAOYSA-N
MW2717.34 g/mol
LogP22.40
Rot. Bonds28

About N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 158285557) has the molecular formula C131H144ClF5N46O14 and a molecular weight of 2717.34 g/mol. Its IUPAC name is N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID158285557
Molecular FormulaC131H144ClF5N46O14
Molecular Weight2717.34 g/mol
Exact Mass2715.16
IUPAC NameN-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESC=O.CCN(C)C(=O)Nc1cn[nH]c1-c1nc2cc(F)c(C)cc2[nH]1.CCN(CC)C(=O)Nc1cn[nH]c1-c1nc2ccc(OC(F)F)cc2[nH]1.CN(C)C(=O)Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2cc(Cl)c(CO)cc2[nH]1)C1CC1.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)CCC3)C1CC1.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)CCC3)N1CCCCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1)N1CCCCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(OC(F)F)cc2[nH]1)N1CCCCC1
InChIInChI=1S/C19H22N6O.C17H18F2N6O2.C17H20N6O2.C17H17N5O.C16H18F2N6O2.C15H14ClN5O2.C15H17FN6O.C14H16N6O2.CH2O/c26-19(25-7-2-1-3-8-25)23-16-11-20-24-17(16)18-21-14-9-12-5-4-6-13(12)10-15(14)22-18;18-16(19)27-10-4-5-11-12(8-10)22-15(21-11)14-13(9-20-24-14)23-17(26)25-6-2-1-3-7-25;24-10-11-4-5-12-13(8-11)20-16(19-12)15-14(9-18-22-15)21-17(25)23-6-2-1-3-7-23;23-17(9-4-5-9)21-14-8-18-22-15(14)16-19-12-6-10-2-1-3-11(10)7-13(12)20-16;1-3-24(4-2)16(25)22-12-8-19-23-13(12)14-20-10-6-5-9(26-15(17)18)7-11(10)21-14;16-9-4-11-10(3-8(9)6-22)18-14(19-11)13-12(5-17-21-13)20-15(23)7-1-2-7;1-4-22(3)15(23)20-12-7-17-21-13(12)14-18-10-5-8(2)9(16)6-11(10)19-14;1-20(2)14(22)18-11-6-15-19-12(11)13-16-9-4-3-8(7-21)5-10(9)17-13;1-2/h9-11H,1-8H2,(H,20,24)(H,21,22)(H,23,26);4-5,8-9,16H,1-3,6-7H2,(H,20,24)(H,21,22)(H,23,26);4-5,8-9,24H,1-3,6-7,10H2,(H,18,22)(H,19,20)(H,21,25);6-9H,1-5H2,(H,18,22)(H,19,20)(H,21,23);5-8,15H,3-4H2,1-2H3,(H,19,23)(H,20,21)(H,22,25);3-5,7,22H,1-2,6H2,(H,17,21)(H,18,19)(H,20,23);5-7H,4H2,1-3H3,(H,17,21)(H,18,19)(H,20,23);3-6,21H,7H2,1-2H3,(H,15,19)(H,16,17)(H,18,22);1H2
InChIKeyGKSURMLGORNKRP-UHFFFAOYSA-N
XLogP22.40
TPSA807.34 Ų
H-Bond Donors27
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002717.34
LogP ≤ 522.40
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1030

Analyze N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-4-(dimethylamino)but-2-en-1-one;2-[[2-chloro-4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-hydroxymethyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-en-2-one;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylbut-3-en-2-one
CID 159945551
1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 159526812
N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 159610933
1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 160658960

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (CID 158285557) is N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is C=O.CCN(C)C(=O)Nc1cn[nH]c1-c1nc2cc(F)c(C)cc2[nH]1.CCN(CC)C(=O)Nc1cn[nH]c1-c1nc2ccc(OC(F)F)cc2[nH]1.CN(C)C(=O)Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2cc(Cl)c(CO)cc2[nH]1)C1CC1.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)CCC3)C1CC1.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)CCC3)N1CCCCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1)N1CCCCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(OC(F)F)cc2[nH]1)N1CCCCC1.
What is the InChIKey of N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is GKSURMLGORNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C17H18F2N6O2.C17H20N6O2.C17H17N5O.C16H18F2N6O2.C15H14ClN5O2.C15H17FN6O.C14H16N6O2.CH2O/c26-19(25-7-2-1-3-8-25)23-16-11-20-24-17(16)18-21-14-9-12-5-4-6-13(12)10-15(14)22-18;18-16(19)27-10-4-5-11-12(8-10)22-15(21-11)14-13(9-20-24-14)23-17(26)25-6-2-1-3-7-25;24-10-11-4-5-12-13(8-11)20-16(19-12)15-14(9-18-22-15)21-17(25)23-6-2-1-3-7-23;23-17(9-4-5-9)21-14-8-18-22-15(14)16-19-12-6-10-2-1-3-11(10)7-13(12)20-16;1-3-24(4-2)16(25)22-12-8-19-23-13(12)14-20-10-6-5-9(26-15(17)18)7-11(10)21-14;16-9-4-11-10(3-8(9)6-22)18-14(19-11)13-12(5-17-21-13)20-15(23)7-1-2-7;1-4-22(3)15(23)20-12-7-17-21-13(12)14-18-10-5-8(2)9(16)6-11(10)19-14;1-20(2)14(22)18-11-6-15-19-12(11)13-16-9-4-3-8(7-21)5-10(9)17-13;1-2/h9-11H,1-8H2,(H,20,24)(H,21,22)(H,23,26);4-5,8-9,16H,1-3,6-7H2,(H,20,24)(H,21,22)(H,23,26);4-5,8-9,24H,1-3,6-7,10H2,(H,18,22)(H,19,20)(H,21,25);6-9H,1-5H2,(H,18,22)(H,19,20)(H,21,23);5-8,15H,3-4H2,1-2H3,(H,19,23)(H,20,21)(H,22,25);3-5,7,22H,1-2,6H2,(H,17,21)(H,18,19)(H,20,23);5-7H,4H2,1-3H3,(H,17,21)(H,18,19)(H,20,23);3-6,21H,7H2,1-2H3,(H,15,19)(H,16,17)(H,18,22);1H2.
What are the key properties of N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 2717.34 g/mol, XLogP of 22.40, 28 rotatable bonds, 27 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide;3-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-diethylurea;N-[5-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-ethyl-3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylurea;formaldehyde;3-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 158285557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).