4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole

C16H12ClF3N2 — CID 141051850

IUPAC4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESCCc1nc2c(Cl)c(C(F)(F)F)ccc2n1-c1ccccc1
InChIInChI=1S/C16H12ClF3N2/c1-2-13-21-15-12(22(13)10-6-4-3-5-7-10)9-8-11(14(15)17)16(18,19)20/h3-9H,2H2,1H3
InChIKeyNLNBXBSWZRMVGB-UHFFFAOYSA-N
MW324.73 g/mol
LogP5.26
Rot. Bonds2

About 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole

4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole (PubChem CID 141051850) has the molecular formula C16H12ClF3N2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole
PubChem CID141051850
Molecular FormulaC16H12ClF3N2
Molecular Weight324.73 g/mol
Exact Mass324.06
IUPAC Name4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESCCc1nc2c(Cl)c(C(F)(F)F)ccc2n1-c1ccccc1
InChIInChI=1S/C16H12ClF3N2/c1-2-13-21-15-12(22(13)10-6-4-3-5-7-10)9-8-11(14(15)17)16(18,19)20/h3-9H,2H2,1H3
InChIKeyNLNBXBSWZRMVGB-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.73
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole
CID 123855815
5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole
CID 167327284
4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 138576331
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine
CID 67099430
2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol
CID 21300435
2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
CID 173238831
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271
2-ethyl-7-methyl-3-phenylimidazo[4,5-b]pyridin-6-amine
CID 141052665
2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
CID 123545957
1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 43140431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole (CID 141051850) is 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole is CCc1nc2c(Cl)c(C(F)(F)F)ccc2n1-c1ccccc1.
What is the InChIKey of 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is NLNBXBSWZRMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2/c1-2-13-21-15-12(22(13)10-6-4-3-5-7-10)9-8-11(14(15)17)16(18,19)20/h3-9H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole?
4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 324.73 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 141051850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).