5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C12H10N4O — CID 136710554

IUPAC5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESNc1cccc2[nH]c(-c3ccc(=O)[nH]c3)nc12
InChIInChI=1S/C12H10N4O/c13-8-2-1-3-9-11(8)16-12(15-9)7-4-5-10(17)14-6-7/h1-6H,13H2,(H,14,17)(H,15,16)
InChIKeyUDIRQFIZHBPEGO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.50
Rot. Bonds1

About 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one

5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 136710554) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID136710554
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESNc1cccc2[nH]c(-c3ccc(=O)[nH]c3)nc12
InChIInChI=1S/C12H10N4O/c13-8-2-1-3-9-11(8)16-12(15-9)7-4-5-10(17)14-6-7/h1-6H,13H2,(H,14,17)(H,15,16)
InChIKeyUDIRQFIZHBPEGO-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

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
CID 63694063
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine
CID 63692783
2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
CID 63695093
2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
CID 136785799
2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine
CID 79976046
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 136710554) is 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Nc1cccc2[nH]c(-c3ccc(=O)[nH]c3)nc12.
What is the InChIKey of 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is UDIRQFIZHBPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-8-2-1-3-9-11(8)16-12(15-9)7-4-5-10(17)14-6-7/h1-6H,13H2,(H,14,17)(H,15,16).
What are the key properties of 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
5-(4-amino-1H-benzimidazol-2-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 5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136710554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).