3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole

C18H14ClN3O — CID 46949436

IUPAC3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole
SMILESCc1nc2ccccc2n1Cc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H14ClN3O/c1-12-20-16-7-2-3-8-18(16)22(12)11-15-10-17(21-23-15)13-5-4-6-14(19)9-13/h2-10H,11H2,1H3
InChIKeyXVDXKOPNOPHMJP-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.70
Rot. Bonds3

About 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole

3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole (PubChem CID 46949436) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole
PubChem CID46949436
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole
SMILESCc1nc2ccccc2n1Cc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H14ClN3O/c1-12-20-16-7-2-3-8-18(16)22(12)11-15-10-17(21-23-15)13-5-4-6-14(19)9-13/h2-10H,11H2,1H3
InChIKeyXVDXKOPNOPHMJP-UHFFFAOYSA-N
XLogP4.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole 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 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole (CID 46949436) is 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole is Cc1nc2ccccc2n1Cc1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is XVDXKOPNOPHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-12-20-16-7-2-3-8-18(16)22(12)11-15-10-17(21-23-15)13-5-4-6-14(19)9-13/h2-10H,11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole?
3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 323.78 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 46949436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).