3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one

C12H10N4O — CID 170945609

IUPAC3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one
SMILESNc1nc2c(-c3ccc[nH]c3=O)cccc2[nH]1
InChIInChI=1S/C12H10N4O/c13-12-15-9-5-1-3-7(10(9)16-12)8-4-2-6-14-11(8)17/h1-6H,(H,14,17)(H3,13,15,16)
InChIKeyXEOFQCHAPPFQAT-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.50
Rot. Bonds1

About 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one

3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one (PubChem CID 170945609) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one
PubChem CID170945609
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one
SMILESNc1nc2c(-c3ccc[nH]c3=O)cccc2[nH]1
InChIInChI=1S/C12H10N4O/c13-12-15-9-5-1-3-7(10(9)16-12)8-4-2-6-14-11(8)17/h1-6H,(H,14,17)(H3,13,15,16)
InChIKeyXEOFQCHAPPFQAT-UHFFFAOYSA-N
XLogP1.50
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
3-(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 53218031
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
4-prop-2-enyl-1H-benzimidazol-2-amine
CID 66897302
4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine
CID 131599442
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
3-(3-phenyl-1H-indol-2-yl)-1H-pyridin-2-one
CID 59508067
3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091398
4-heptan-4-yl-1H-benzimidazol-2-amine
CID 91368922
3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-amine
CID 67216423

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one (CID 170945609) is 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one is Nc1nc2c(-c3ccc[nH]c3=O)cccc2[nH]1.
What is the InChIKey of 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one?
The InChIKey is XEOFQCHAPPFQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-12-15-9-5-1-3-7(10(9)16-12)8-4-2-6-14-11(8)17/h1-6H,(H,14,17)(H3,13,15,16).
What are the key properties of 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one?
3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 170945609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).