5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one

C12H10N4O — CID 110491548

IUPAC5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(-c3ccncc3)c2c1
InChIInChI=1S/C12H10N4O/c13-8-1-2-10-11(7-8)16(12(17)15-10)9-3-5-14-6-4-9/h1-7H,13H2,(H,15,17)
InChIKeyHKQUVXONFZILCW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.30
Rot. Bonds1

About 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one

5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one (PubChem CID 110491548) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one
PubChem CID110491548
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(-c3ccncc3)c2c1
InChIInChI=1S/C12H10N4O/c13-8-1-2-10-11(7-8)16(12(17)15-10)9-3-5-14-6-4-9/h1-7H,13H2,(H,15,17)
InChIKeyHKQUVXONFZILCW-UHFFFAOYSA-N
XLogP1.30
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
CID 110491624
5-amino-3-(1H-1,2,4-triazol-5-yl)-1H-benzimidazol-2-one
CID 110491506
6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one
CID 110491432
5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
CID 117208442
4-(5-amino-2-oxo-3H-benzimidazol-1-yl)benzenesulfonic acid
CID 18941520
7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one
CID 117206989
4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
CID 86812176
3-[4-(aminomethyl)phenyl]-5-chloro-1H-benzimidazol-2-one
CID 70094432
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one
CID 163220152
5-ethyl-3-phenyl-1H-benzimidazol-2-one
CID 118974801
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one (CID 110491548) is 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one is Nc1ccc2[nH]c(=O)n(-c3ccncc3)c2c1.
What is the InChIKey of 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one?
The InChIKey is HKQUVXONFZILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-8-1-2-10-11(7-8)16(12(17)15-10)9-3-5-14-6-4-9/h1-7H,13H2,(H,15,17).
What are the key properties of 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one?
5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 110491548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).