1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide

C17H14N6O — CID 122156351

IUPAC1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1
InChIInChI=1S/C17H14N6O/c1-23-9-15(19-10-23)17(24)20-11-5-6-12-14(8-11)22-16(21-12)13-4-2-3-7-18-13/h2-10H,1H3,(H,20,24)(H,21,22)
InChIKeyADMIWUIXIPQBFV-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide

1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide (PubChem CID 122156351) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
PubChem CID122156351
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1
InChIInChI=1S/C17H14N6O/c1-23-9-15(19-10-23)17(24)20-11-5-6-12-14(8-11)22-16(21-12)13-4-2-3-7-18-13/h2-10H,1H3,(H,20,24)(H,21,22)
InChIKeyADMIWUIXIPQBFV-UHFFFAOYSA-N
XLogP2.61
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ins018_055
CID 164938183
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
2-(pyridin-2-yl)-1H-benzo(d)imidazol-5-amine
CID 542828
N-cyclopropyl-1-{2-[(ethylcarbamoyl)amino]-7-(1H-pyrazol-1-yl)-1H-1,3-benzodiazol-5-yl}-1H-imidazole-4-carboxamide
CID 9844989
N-(2-(n-isopropyl-N-methylamino)-1h-benzo[d]imidazol-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 9887476
N-cyclopropyl-1-{2-[(ethylcarbamoyl)amino]-6-fluoro-1H-1,3-benzodiazol-5-yl}-1H-imidazole-4-carboxamide
CID 21366124
1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4-(pyridin-2-yl)-1H-benzo[d]imidazol-2-yl)-3-ethylurea
CID 24971306
4-Amino-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,7-naphthyridin-2(1H)-one
CID 12988793
1-amino-N-(pyridin-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 163215620
1-amino-N-(pyridin-3-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168297484
N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 4876863
Theophylline, 8-(4-(2-benzimidazolyl)butyl)-
CID 73250

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide (CID 122156351) is 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1.
What is the InChIKey of 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide?
The InChIKey is ADMIWUIXIPQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-23-9-15(19-10-23)17(24)20-11-5-6-12-14(8-11)22-16(21-12)13-4-2-3-7-18-13/h2-10H,1H3,(H,20,24)(H,21,22).
What are the key properties of 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide?
1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide is sourced from PubChem (CID 122156351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).