1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea

C107H131N35O8 — CID 157410257

IUPAC1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea
SMILESCc1cc2nc(-c3n[nH]c(C)c3N(C)C(=O)N(C)C)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)C3CC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)CN3CCOCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)N3CCCCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)N3CCOCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)NC3CC3)[nH]c2cc1C
InChIInChI=1S/C19H24N6O2.C19H24N6O.C18H22N6O2.C17H20N6O.C17H22N6O.C17H19N5O/c1-11-8-14-15(9-12(11)2)21-19(20-14)18-17(13(3)23-24-18)22-16(26)10-25-4-6-27-7-5-25;1-11-9-14-15(10-12(11)2)21-18(20-14)17-16(13(3)23-24-17)22-19(26)25-7-5-4-6-8-25;1-10-8-13-14(9-11(10)2)20-17(19-13)16-15(12(3)22-23-16)21-18(25)24-4-6-26-7-5-24;1-8-6-12-13(7-9(8)2)20-16(19-12)15-14(10(3)22-23-15)21-17(24)18-11-4-5-11;1-9-7-12-13(8-10(9)2)19-16(18-12)14-15(11(3)20-21-14)23(6)17(24)22(4)5;1-8-6-12-13(7-9(8)2)19-16(18-12)15-14(10(3)21-22-15)20-17(23)11-4-5-11/h8-9H,4-7,10H2,1-3H3,(H,20,21)(H,22,26)(H,23,24);9-10H,4-8H2,1-3H3,(H,20,21)(H,22,26)(H,23,24);8-9H,4-7H2,1-3H3,(H,19,20)(H,21,25)(H,22,23);6-7,11H,4-5H2,1-3H3,(H,19,20)(H,22,23)(H2,18,21,24);7-8H,1-6H3,(H,18,19)(H,20,21);6-7,11H,4-5H2,1-3H3,(H,18,19)(H,20,23)(H,21,22)
InChIKeyBOESOEAOFDGZOE-UHFFFAOYSA-N
MW2035.46 g/mol
LogP18.17
Rot. Bonds16

About 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea

1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea (PubChem CID 157410257) has the molecular formula C107H131N35O8 and a molecular weight of 2035.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea
PubChem CID157410257
Molecular FormulaC107H131N35O8
Molecular Weight2035.46 g/mol
Exact Mass2034.09
IUPAC Name1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea
SMILESCc1cc2nc(-c3n[nH]c(C)c3N(C)C(=O)N(C)C)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)C3CC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)CN3CCOCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)N3CCCCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)N3CCOCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)NC3CC3)[nH]c2cc1C
InChIInChI=1S/C19H24N6O2.C19H24N6O.C18H22N6O2.C17H20N6O.C17H22N6O.C17H19N5O/c1-11-8-14-15(9-12(11)2)21-19(20-14)18-17(13(3)23-24-18)22-16(26)10-25-4-6-27-7-5-25;1-11-9-14-15(10-12(11)2)21-18(20-14)17-16(13(3)23-24-17)22-19(26)25-7-5-4-6-8-25;1-10-8-13-14(9-11(10)2)20-17(19-13)16-15(12(3)22-23-16)21-18(25)24-4-6-26-7-5-24;1-8-6-12-13(7-9(8)2)20-16(19-12)15-14(10(3)22-23-15)21-17(24)18-11-4-5-11;1-9-7-12-13(8-10(9)2)19-16(18-12)14-15(11(3)20-21-14)23(6)17(24)22(4)5;1-8-6-12-13(7-9(8)2)19-16(18-12)15-14(10(3)21-22-15)20-17(23)11-4-5-11/h8-9H,4-7,10H2,1-3H3,(H,20,21)(H,22,26)(H,23,24);9-10H,4-8H2,1-3H3,(H,20,21)(H,22,26)(H,23,24);8-9H,4-7H2,1-3H3,(H,19,20)(H,21,25)(H,22,23);6-7,11H,4-5H2,1-3H3,(H,19,20)(H,22,23)(H2,18,21,24);7-8H,1-6H3,(H,18,19)(H,20,21);6-7,11H,4-5H2,1-3H3,(H,18,19)(H,20,23)(H,21,22)
InChIKeyBOESOEAOFDGZOE-UHFFFAOYSA-N
XLogP18.17
TPSA553.42 Ų
H-Bond Donors18
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002035.46
LogP ≤ 518.17
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1021

Analyze 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59616879
2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
CID 157291072
2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-1-carboxamide;4,4-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclohexane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropane-1-carboxamide;N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropanecarboxamide
CID 157656705
1-cyclopropyl-3-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;bis(N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide);N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide;3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-dimethylurea;N-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 161650481
N-[3-(1H-benzimidazol-2-yl)-1H-isoindol-5-yl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-isoindol-5-yl]cyclopropane-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-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-isoindol-5-yl]cyclopropane-1-carboxamide
CID 161663891
methyl N-[(2S)-1-[(1R,3S,5R)-3-[6-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58348534
methyl N-[(2S)-1-[(1S,3S,5S)-3-[6-[4-[2-[(1S,3S,5S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58348656
methyl N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[3-[4-[2-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]phenyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethyl]carbamate
CID 58421420
methoxy N-[(1R)-2-[(1R,3S,5R)-3-[6-[3-[[2-[(1R,3S,5R)-2-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]methyl]-2-oxoimidazolidin-1-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]methanimidate
CID 59470918
methoxy N-[(1R)-2-[(1S,3S,5S)-3-[6-[3-[[2-[(1S,3S,5S)-2-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]methyl]-2-oxoimidazolidin-1-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]methanimidate
CID 59470920
(2R)-2-morpholin-4-yl-1-[(2S)-2-[6-[[N-[[2-[(2S)-1-[(2R)-2-morpholin-4-yl-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]anilino]methyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 59540090
methyl N-(N-[(1R,3S,5R)-3-[6-[4-[2-[(1R,3S,5R)-2-[(2R)-2-phenylpropanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]anilino)carbamate
CID 59615817

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea (CID 157410257) is 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea is Cc1cc2nc(-c3n[nH]c(C)c3N(C)C(=O)N(C)C)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)C3CC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)CN3CCOCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)N3CCCCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)N3CCOCC3)[nH]c2cc1C.Cc1cc2nc(-c3n[nH]c(C)c3NC(=O)NC3CC3)[nH]c2cc1C.
What is the InChIKey of 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea?
The InChIKey is BOESOEAOFDGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.C19H24N6O.C18H22N6O2.C17H20N6O.C17H22N6O.C17H19N5O/c1-11-8-14-15(9-12(11)2)21-19(20-14)18-17(13(3)23-24-18)22-16(26)10-25-4-6-27-7-5-25;1-11-9-14-15(10-12(11)2)21-18(20-14)17-16(13(3)23-24-17)22-19(26)25-7-5-4-6-8-25;1-10-8-13-14(9-11(10)2)20-17(19-13)16-15(12(3)22-23-16)21-18(25)24-4-6-26-7-5-24;1-8-6-12-13(7-9(8)2)20-16(19-12)15-14(10(3)22-23-15)21-17(24)18-11-4-5-11;1-9-7-12-13(8-10(9)2)19-16(18-12)14-15(11(3)20-21-14)23(6)17(24)22(4)5;1-8-6-12-13(7-9(8)2)19-16(18-12)15-14(10(3)21-22-15)20-17(23)11-4-5-11/h8-9H,4-7,10H2,1-3H3,(H,20,21)(H,22,26)(H,23,24);9-10H,4-8H2,1-3H3,(H,20,21)(H,22,26)(H,23,24);8-9H,4-7H2,1-3H3,(H,19,20)(H,21,25)(H,22,23);6-7,11H,4-5H2,1-3H3,(H,19,20)(H,22,23)(H2,18,21,24);7-8H,1-6H3,(H,18,19)(H,20,21);6-7,11H,4-5H2,1-3H3,(H,18,19)(H,20,23)(H,21,22).
What are the key properties of 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea?
1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea has a molecular weight of 2035.46 g/mol, XLogP of 18.17, 16 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]urea;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]morpholine-4-carboxamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-morpholin-4-ylacetamide;N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]piperidine-1-carboxamide;1-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-4-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 157410257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).