N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide

C14H12N4O2 — CID 153403078

IUPACN-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide
SMILESO=CNc1cccn(Cc2nc3ccccc3[nH]2)c1=O
InChIInChI=1S/C14H12N4O2/c19-9-15-12-6-3-7-18(14(12)20)8-13-16-10-4-1-2-5-11(10)17-13/h1-7,9H,8H2,(H,15,19)(H,16,17)
InChIKeyLHQSICBPOUXHJI-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide

N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide (PubChem CID 153403078) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide
PubChem CID153403078
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide
SMILESO=CNc1cccn(Cc2nc3ccccc3[nH]2)c1=O
InChIInChI=1S/C14H12N4O2/c19-9-15-12-6-3-7-18(14(12)20)8-13-16-10-4-1-2-5-11(10)17-13/h1-7,9H,8H2,(H,15,19)(H,16,17)
InChIKeyLHQSICBPOUXHJI-UHFFFAOYSA-N
XLogP1.34
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]-N-methylhept-2-enediamide
CID 170071714
6-amino-N'-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]-N,N-dimethylhept-2-enediamide
CID 156756246
[1-[[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]amino]-7-(dimethylamino)-1,7-dioxohept-5-en-2-yl]carbamic acid
CID 146349305
methyl N-[(E,2S)-1-[[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-1,7-dioxohept-5-en-2-yl]carbamate
CID 146363706
2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole
CID 57314643
[(E,2S)-1-[[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]amino]-7-(2-hydroxyethylamino)-1,7-dioxohept-5-en-2-yl]-methylcarbamic acid
CID 146349010
N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
CID 79036370
N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1,3-benzothiazol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
CID 170076399
N-[1-[[5-fluoro-7-(2-methylpropyl)-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
CID 170075573
N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
CID 58296357
CID 58296357

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide (CID 153403078) is N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide is O=CNc1cccn(Cc2nc3ccccc3[nH]2)c1=O.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide?
The InChIKey is LHQSICBPOUXHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-9-15-12-6-3-7-18(14(12)20)8-13-16-10-4-1-2-5-11(10)17-13/h1-7,9H,8H2,(H,15,19)(H,16,17).
What are the key properties of N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide?
N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 153403078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).