6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one

C13H12N4O — CID 110491432

IUPAC6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one
SMILESCc1cc(-n2c(=O)[nH]c3cc(N)ccc32)ccn1
InChIInChI=1S/C13H12N4O/c1-8-6-10(4-5-15-8)17-12-3-2-9(14)7-11(12)16-13(17)18/h2-7H,14H2,1H3,(H,16,18)
InChIKeyYQDSVKSGCAUZTM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.60
Rot. Bonds1

About 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one

6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one (PubChem CID 110491432) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one
PubChem CID110491432
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one
SMILESCc1cc(-n2c(=O)[nH]c3cc(N)ccc32)ccn1
InChIInChI=1S/C13H12N4O/c1-8-6-10(4-5-15-8)17-12-3-2-9(14)7-11(12)16-13(17)18/h2-7H,14H2,1H3,(H,16,18)
InChIKeyYQDSVKSGCAUZTM-UHFFFAOYSA-N
XLogP1.60
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.60
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-pyridin-4-yl-1H-benzimidazol-2-one
CID 110491548
5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
CID 110491624
4-(5-amino-2-oxo-3H-benzimidazol-1-yl)benzenesulfonic acid
CID 18941520
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
CID 146172820
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
5-amino-3-(1H-1,2,4-triazol-5-yl)-1H-benzimidazol-2-one
CID 110491506
1-(2-methyl-4-pyridinyl)imidazolidin-2-one
CID 170628851
3-(3-bromophenyl)-6-methyl-1H-benzimidazol-2-one
CID 117207577
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
4-amino-3-(4-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-one
CID 153011341
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
CID 151138139

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one (CID 110491432) is 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one is Cc1cc(-n2c(=O)[nH]c3cc(N)ccc32)ccn1.
What is the InChIKey of 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one?
The InChIKey is YQDSVKSGCAUZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-6-10(4-5-15-8)17-12-3-2-9(14)7-11(12)16-13(17)18/h2-7H,14H2,1H3,(H,16,18).
What are the key properties of 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one?
6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one has a molecular weight of 240.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).