1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

C16H15N3O — CID 116548567

IUPAC1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2cccc(N)c2)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-14-8-3-2-7-13(14)18-16(19)10-15(20)11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3
InChIKeyQKJZCNKUXITWIF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds3

About 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 116548567) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID116548567
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2cccc(N)c2)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-14-8-3-2-7-13(14)18-16(19)10-15(20)11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3
InChIKeyQKJZCNKUXITWIF-UHFFFAOYSA-N
XLogP2.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116597370
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79783281
(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 41015253
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (CID 116548567) is 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is Cn1c(CC(=O)c2cccc(N)c2)nc2ccccc21.
What is the InChIKey of 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is QKJZCNKUXITWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-14-8-3-2-7-13(14)18-16(19)10-15(20)11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 265.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 116548567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).