5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one

C14H13N3O — CID 110491624

IUPAC5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1cccc(-n2c(=O)[nH]c3ccc(N)cc32)c1
InChIInChI=1S/C14H13N3O/c1-9-3-2-4-11(7-9)17-13-8-10(15)5-6-12(13)16-14(17)18/h2-8H,15H2,1H3,(H,16,18)
InChIKeyMQIHJPKJYUYYGN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.21
Rot. Bonds1

About 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one

5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one (PubChem CID 110491624) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
PubChem CID110491624
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1cccc(-n2c(=O)[nH]c3ccc(N)cc32)c1
InChIInChI=1S/C14H13N3O/c1-9-3-2-4-11(7-9)17-13-8-10(15)5-6-12(13)16-14(17)18/h2-8H,15H2,1H3,(H,16,18)
InChIKeyMQIHJPKJYUYYGN-UHFFFAOYSA-N
XLogP2.21
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one (CID 110491624) is 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one is Cc1cccc(-n2c(=O)[nH]c3ccc(N)cc32)c1.
What is the InChIKey of 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one?
The InChIKey is MQIHJPKJYUYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-3-2-4-11(7-9)17-13-8-10(15)5-6-12(13)16-14(17)18/h2-8H,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one?
5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).