3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole

C24H18ClN3O — CID 167713615

IUPAC3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole
SMILESCc1ccc(Cn2c(-c3cc(-c4ccccc4Cl)no3)nc3ccccc32)cc1
InChIInChI=1S/C24H18ClN3O/c1-16-10-12-17(13-11-16)15-28-22-9-5-4-8-20(22)26-24(28)23-14-21(27-29-23)18-6-2-3-7-19(18)25/h2-14H,15H2,1H3
InChIKeyKARCFCKAEVXWJD-UHFFFAOYSA-N
MW399.88 g/mol
LogP6.37
Rot. Bonds4

About 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole

3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole (PubChem CID 167713615) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole
PubChem CID167713615
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole
SMILESCc1ccc(Cn2c(-c3cc(-c4ccccc4Cl)no3)nc3ccccc32)cc1
InChIInChI=1S/C24H18ClN3O/c1-16-10-12-17(13-11-16)15-28-22-9-5-4-8-20(22)26-24(28)23-14-21(27-29-23)18-6-2-3-7-19(18)25/h2-14H,15H2,1H3
InChIKeyKARCFCKAEVXWJD-UHFFFAOYSA-N
XLogP6.37
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
3-(2-chloro-6-fluorophenyl)-5-(1-methyl-2-(piperidin-4-yl)-1H-imidazol-5-yl)isoxazole
CID 44580173
3-(2-chloro-6-fluorophenyl)-5-(1-ethyl-2-(piperidin-4-yl)-1H-imidazol-5-yl)isoxazole
CID 44580174
3-(2-chloro-6-fluorophenyl)-5-(2-(4-fluoropiperidin-4-yl)-1-methyl-1H-imidazol-5-yl)isoxazole
CID 44580175
3-(2-chloro-6-fluorophenyl)-5-(1-ethyl-2-(4-fluoropiperidin-4-yl)-1H-imidazol-5-yl)isoxazole
CID 44580290
4-[3-[(4-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667406
4-[3-[(2-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667410
4-[3-[(3-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667405
3-(4-Chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]isoxazole
CID 15986473
5-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2-oxazole
CID 172442609
1-([3-(3-Chlorophenyl)-1,2-oxazol-5-yl]methyl)-1,3-benzodiazole
CID 46949465
3-(4-Chlorophenyl)-5-[[8-(2,3-difluorophenyl)purin-1-yl]methyl]isoxazole
CID 11704519

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole (CID 167713615) is 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole is Cc1ccc(Cn2c(-c3cc(-c4ccccc4Cl)no3)nc3ccccc32)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole?
The InChIKey is KARCFCKAEVXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c1-16-10-12-17(13-11-16)15-28-22-9-5-4-8-20(22)26-24(28)23-14-21(27-29-23)18-6-2-3-7-19(18)25/h2-14H,15H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole?
3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole has a molecular weight of 399.88 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 167713615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).