1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone

C18H19N3O — CID 86579058

IUPAC1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
SMILES[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H19N3O/c1-3-13-8-10-14(11-9-13)17(22)12-21-16-7-5-4-6-15(16)20(2)18(21)19/h4-11,19H,3,12H2,1-2H3/b19-18+
InChIKeyQUVOLNNLBVOUBX-VHEBQXMUSA-N
MW293.37 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone

1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone (PubChem CID 86579058) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
PubChem CID86579058
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
SMILES[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H19N3O/c1-3-13-8-10-14(11-9-13)17(22)12-21-16-7-5-4-6-15(16)20(2)18(21)19/h4-11,19H,3,12H2,1-2H3/b19-18+
InChIKeyQUVOLNNLBVOUBX-VHEBQXMUSA-N
XLogP2.90
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone (CID 86579058) is 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone is [H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone?
The InChIKey is QUVOLNNLBVOUBX-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-13-8-10-14(11-9-13)17(22)12-21-16-7-5-4-6-15(16)20(2)18(21)19/h4-11,19H,3,12H2,1-2H3/b19-18+.
What are the key properties of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone?
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone has a molecular weight of 293.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 86579058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).