N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide

C14H12N4O — CID 24686534

IUPACN-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc[nH]c3c2)nc1
InChIInChI=1S/C14H12N4O/c1-9-2-5-13(15-7-9)18-14(19)10-3-4-11-12(6-10)17-8-16-11/h2-8H,1H3,(H,16,17)(H,15,18,19)
InChIKeySXCBIFHKTOVYBD-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.52
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide

N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide (PubChem CID 24686534) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide
PubChem CID24686534
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc[nH]c3c2)nc1
InChIInChI=1S/C14H12N4O/c1-9-2-5-13(15-7-9)18-14(19)10-3-4-11-12(6-10)17-8-16-11/h2-8H,1H3,(H,16,17)(H,15,18,19)
InChIKeySXCBIFHKTOVYBD-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dabigatran
CID 216210
Dabigatran Etexilate
CID 135565674
ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
CID 9578572
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
6-Benzamidopurine
CID 97075
ethyl 3-(2-((4-(N-(hexyloxycarbonyl)carbamimidoyl)phenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CID 6445226
Dabigatran Ethyl Ester
CID 446804
Delavuridine
CID 72346
KF 17625
CID 126487
IN-1130
CID 11676119
ethyl 3-[[2-[[4-(N'-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 213023
Adibendan
CID 65867

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide (CID 24686534) is N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is SXCBIFHKTOVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-2-5-13(15-7-9)18-14(19)10-3-4-11-12(6-10)17-8-16-11/h2-8H,1H3,(H,16,17)(H,15,18,19).
What are the key properties of N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide?
N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 24686534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).