N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide

C110H100F8N22O5 — CID 158745836

IUPACN-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide
SMILESCC1CCN(c2ccc3nc(C4=NCc5ccc(NC(=O)C6CC6(F)F)cc54)[nH]c3c2)CC1.O=C(Nc1ccc2c(c1)C(c1nc3ccc(CN4CCCCC4)cc3[nH]1)=NC2)C1CC1(F)F.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CC1.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CC1(F)F.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CCC(F)(F)CC1
InChIInChI=1S/2C25H25F2N5O.C22H20F2N4O.C19H14F2N4O.C19H16N4O/c1-14-6-8-32(9-7-14)17-4-5-20-21(11-17)31-23(30-20)22-18-10-16(3-2-15(18)13-28-22)29-24(33)19-12-25(19,26)27;26-25(27)12-19(25)24(33)29-17-6-5-16-13-28-22(18(16)11-17)23-30-20-7-4-15(10-21(20)31-23)14-32-8-2-1-3-9-32;23-22(24)9-7-13(8-10-22)21(29)26-15-6-5-14-12-25-19(16(14)11-15)20-27-17-3-1-2-4-18(17)28-20;20-19(21)8-13(19)18(26)23-11-6-5-10-9-22-16(12(10)7-11)17-24-14-3-1-2-4-15(14)25-17;24-19(11-5-6-11)21-13-8-7-12-10-20-17(14(12)9-13)18-22-15-3-1-2-4-16(15)23-18/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,29,33)(H,30,31);4-7,10-11,19H,1-3,8-9,12-14H2,(H,29,33)(H,30,31);1-6,11,13H,7-10,12H2,(H,26,29)(H,27,28);1-7,13H,8-9H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6,10H2,(H,21,24)(H,22,23)
InChIKeyIMWIYUSHPZYYLZ-UHFFFAOYSA-N
MW1962.14 g/mol
LogP20.69
Rot. Bonds18

About N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide

N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide (PubChem CID 158745836) has the molecular formula C110H100F8N22O5 and a molecular weight of 1962.14 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide
PubChem CID158745836
Molecular FormulaC110H100F8N22O5
Molecular Weight1962.14 g/mol
Exact Mass1960.81
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide
SMILESCC1CCN(c2ccc3nc(C4=NCc5ccc(NC(=O)C6CC6(F)F)cc54)[nH]c3c2)CC1.O=C(Nc1ccc2c(c1)C(c1nc3ccc(CN4CCCCC4)cc3[nH]1)=NC2)C1CC1(F)F.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CC1.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CC1(F)F.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CCC(F)(F)CC1
InChIInChI=1S/2C25H25F2N5O.C22H20F2N4O.C19H14F2N4O.C19H16N4O/c1-14-6-8-32(9-7-14)17-4-5-20-21(11-17)31-23(30-20)22-18-10-16(3-2-15(18)13-28-22)29-24(33)19-12-25(19,26)27;26-25(27)12-19(25)24(33)29-17-6-5-16-13-28-22(18(16)11-17)23-30-20-7-4-15(10-21(20)31-23)14-32-8-2-1-3-9-32;23-22(24)9-7-13(8-10-22)21(29)26-15-6-5-14-12-25-19(16(14)11-15)20-27-17-3-1-2-4-18(17)28-20;20-19(21)8-13(19)18(26)23-11-6-5-10-9-22-16(12(10)7-11)17-24-14-3-1-2-4-15(14)25-17;24-19(11-5-6-11)21-13-8-7-12-10-20-17(14(12)9-13)18-22-15-3-1-2-4-16(15)23-18/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,29,33)(H,30,31);4-7,10-11,19H,1-3,8-9,12-14H2,(H,29,33)(H,30,31);1-6,11,13H,7-10,12H2,(H,26,29)(H,27,28);1-7,13H,8-9H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6,10H2,(H,21,24)(H,22,23)
InChIKeyIMWIYUSHPZYYLZ-UHFFFAOYSA-N
XLogP20.69
TPSA357.18 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001962.14
LogP ≤ 520.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 166197291
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide
CID 90031123
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
CID 42290175
1-benzyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 136980396
N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide
CID 164984428
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462
2-[3-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526464
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide (CID 158745836) is N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide is CC1CCN(c2ccc3nc(C4=NCc5ccc(NC(=O)C6CC6(F)F)cc54)[nH]c3c2)CC1.O=C(Nc1ccc2c(c1)C(c1nc3ccc(CN4CCCCC4)cc3[nH]1)=NC2)C1CC1(F)F.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CC1.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CC1(F)F.O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)C1CCC(F)(F)CC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is IMWIYUSHPZYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25F2N5O.C22H20F2N4O.C19H14F2N4O.C19H16N4O/c1-14-6-8-32(9-7-14)17-4-5-20-21(11-17)31-23(30-20)22-18-10-16(3-2-15(18)13-28-22)29-24(33)19-12-25(19,26)27;26-25(27)12-19(25)24(33)29-17-6-5-16-13-28-22(18(16)11-17)23-30-20-7-4-15(10-21(20)31-23)14-32-8-2-1-3-9-32;23-22(24)9-7-13(8-10-22)21(29)26-15-6-5-14-12-25-19(16(14)11-15)20-27-17-3-1-2-4-18(17)28-20;20-19(21)8-13(19)18(26)23-11-6-5-10-9-22-16(12(10)7-11)17-24-14-3-1-2-4-15(14)25-17;24-19(11-5-6-11)21-13-8-7-12-10-20-17(14(12)9-13)18-22-15-3-1-2-4-16(15)23-18/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,29,33)(H,30,31);4-7,10-11,19H,1-3,8-9,12-14H2,(H,29,33)(H,30,31);1-6,11,13H,7-10,12H2,(H,26,29)(H,27,28);1-7,13H,8-9H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6,10H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 1962.14 g/mol, XLogP of 20.69, 18 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-4,4-difluorocyclohexane-1-carboxamide;N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158745836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).