(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one

C16H11ClN2O — CID 6167552

IUPAC(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11ClN2O/c17-12-6-2-1-5-11(12)9-10-15(20)16-18-13-7-3-4-8-14(13)19-16/h1-10H,(H,18,19)/b10-9+
InChIKeyQHFYRLZGVASYQT-MDZDMXLPSA-N
MW282.73 g/mol
LogP4.11
Rot. Bonds3

About (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one

(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one (PubChem CID 6167552) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one
PubChem CID6167552
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11ClN2O/c17-12-6-2-1-5-11(12)9-10-15(20)16-18-13-7-3-4-8-14(13)19-16/h1-10H,(H,18,19)/b10-9+
InChIKeyQHFYRLZGVASYQT-MDZDMXLPSA-N
XLogP4.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one 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

(E)-1-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 10591544
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 71961008
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
2-(1H-benzimidazol-2-yl)-2-sulfanylideneacetaldehyde
CID 173032352
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
methyl 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-(2-nitrophenyl)penta-2,4-dienoate
CID 135480815
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one (CID 6167552) is (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one?
The InChIKey is QHFYRLZGVASYQT-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-12-6-2-1-5-11(12)9-10-15(20)16-18-13-7-3-4-8-14(13)19-16/h1-10H,(H,18,19)/b10-9+.
What are the key properties of (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one?
(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one has a molecular weight of 282.73 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 6167552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).