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

C19H16ClN3O — CID 90667410

IUPAC4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)14-7-8-17-18(9-14)23(11-21-17)10-15-5-3-4-6-16(15)20/h3-9,11H,10H2,1-2H3
InChIKeySTVCHCOXRMWXIB-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.01
Rot. Bonds3

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

4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90667410) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90667410
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)14-7-8-17-18(9-14)23(11-21-17)10-15-5-3-4-6-16(15)20/h3-9,11H,10H2,1-2H3
InChIKeySTVCHCOXRMWXIB-UHFFFAOYSA-N
XLogP5.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
1-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-5,6-dimethyl-1H-benzimidazole
CID 1212426
4-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 71720056
1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
CID 121414854
(5,6-Dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 798239
4-[3-[(3-Fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667404
4-[3-[(4-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667406
4-[3-[(3-Bromophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667407
4-[3-[(4-Methoxyphenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667409
3,5-Dimethyl-4-[3-[(2-nitrophenyl)methyl]benzimidazol-5-yl]-1,2-oxazole
CID 90667411

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 90667410) is 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ncn(Cc3ccccc3Cl)c2c1.
What is the InChIKey of 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is STVCHCOXRMWXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)14-7-8-17-18(9-14)23(11-21-17)10-15-5-3-4-6-16(15)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 337.81 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).