2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide

C22H19N7O2 — CID 58026542

IUPAC2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]1)n2C
InChIInChI=1S/C22H19N7O2/c1-12-6-7-16-13(10-12)11-17(29(16)2)20(31)28-22-25-15-5-3-4-14(18(15)26-22)19(30)27-21-23-8-9-24-21/h3-11H,1-2H3,(H2,23,24,27,30)(H2,25,26,28,31)
InChIKeyBXQYWBDHNSYVRY-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.59
Rot. Bonds4

About 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58026542) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58026542
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]1)n2C
InChIInChI=1S/C22H19N7O2/c1-12-6-7-16-13(10-12)11-17(29(16)2)20(31)28-22-25-15-5-3-4-14(18(15)26-22)19(30)27-21-23-8-9-24-21/h3-11H,1-2H3,(H2,23,24,27,30)(H2,25,26,28,31)
InChIKeyBXQYWBDHNSYVRY-UHFFFAOYSA-N
XLogP3.59
TPSA120.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858322
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
CID 11857394
1-butyl-N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026680
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-7,8-dihydrocinnoline-3-carboxamide
CID 163436899
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-1-methyl-7-(trifluoromethoxy)isoquinoline-3-carboxamide
CID 58026488
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
6-[[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 140508384
(6,7-dimethoxyisoquinolin-3-yl) N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
CID 70942142
2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 67891553
N-(1H-imidazol-2-yl)-2-[[6-[2-[4-(methylamino)phenyl]ethynyl]pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 143293986

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58026542) is 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide is Cc1ccc2c(c1)cc(C(=O)Nc1nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]1)n2C.
What is the InChIKey of 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is BXQYWBDHNSYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-12-6-7-16-13(10-12)11-17(29(16)2)20(31)28-22-25-15-5-3-4-14(18(15)26-22)19(30)27-21-23-8-9-24-21/h3-11H,1-2H3,(H2,23,24,27,30)(H2,25,26,28,31).
What are the key properties of 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58026542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).