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

C20H18ClN3O — CID 145173276

IUPAC4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C20H18ClN3O/c1-12-20(13(2)25-24-12)15-6-9-17-18(11-15)23-19(22-17)10-5-14-3-7-16(21)8-4-14/h3-4,6-9,11H,5,10H2,1-2H3,(H,22,23)
InChIKeyQCMXSUCZOLKZFX-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.27
Rot. Bonds4

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

4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 145173276) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID145173276
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C20H18ClN3O/c1-12-20(13(2)25-24-12)15-6-9-17-18(11-15)23-19(22-17)10-5-14-3-7-16(21)8-4-14/h3-4,6-9,11H,5,10H2,1-2H3,(H,22,23)
InChIKeyQCMXSUCZOLKZFX-UHFFFAOYSA-N
XLogP5.27
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24758473
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide
CID 46379509
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
(5S)-1-(3-chloro-5-fluorophenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
CID 134457475
6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one
CID 142331155
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium
CID 58024804
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid
CID 71247346
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 145173276) is 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QCMXSUCZOLKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-12-20(13(2)25-24-12)15-6-9-17-18(11-15)23-19(22-17)10-5-14-3-7-16(21)8-4-14/h3-4,6-9,11H,5,10H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 351.84 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 145173276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).