1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol

C19H17Cl2F3N2O — CID 141245169

IUPAC1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol
SMILESCC(O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCCl)cc1
InChIInChI=1S/C19H17Cl2F3N2O/c1-11(27)8-18-25-16-9-14(19(22,23)24)15(21)10-17(16)26(18)13-4-2-12(3-5-13)6-7-20/h2-5,9-11,27H,6-8H2,1H3
InChIKeyFKGZZZOOFCIQSV-UHFFFAOYSA-N
MW417.26 g/mol
LogP5.40
Rot. Bonds5

About 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol

1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol (PubChem CID 141245169) has the molecular formula C19H17Cl2F3N2O and a molecular weight of 417.26 g/mol. Its IUPAC name is 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol
PubChem CID141245169
Molecular FormulaC19H17Cl2F3N2O
Molecular Weight417.26 g/mol
Exact Mass416.07
IUPAC Name1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol
SMILESCC(O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCCl)cc1
InChIInChI=1S/C19H17Cl2F3N2O/c1-11(27)8-18-25-16-9-14(19(22,23)24)15(21)10-17(16)26(18)13-4-2-12(3-5-13)6-7-20/h2-5,9-11,27H,6-8H2,1H3
InChIKeyFKGZZZOOFCIQSV-UHFFFAOYSA-N
XLogP5.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.26
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(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
1-[(2S)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-yl]-3-(4-methylphenyl)sulfonylurea
CID 67099098
N-[(2S)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-yl]-N-(4-methylphenyl)sulfonylcarbamate
CID 152750662
N-[2-[4-[6-chloro-2-(3-oxo-3-pyridin-2-ylpropyl)-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate
CID 152754181
5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
CID 43666944
3-[4-(5,6-dichloro-2-ethylbenzimidazol-1-yl)phenyl]-2-methylpropanenitrile
CID 141052723
2-[3-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl-(2-chlorophenyl)sulfonylcarbamic acid
CID 68854531
2-[4-[6-chloro-2-(3-pyridin-2-ylpropyl)-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate;4-methylbenzenesulfonic acid
CID 172735575
2-[4-[6-chloro-2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 11700062
2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
CID 43666954
2-[4-[6-chloro-2-(1,5-dimethylpyrazol-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 86585628

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol?
The IUPAC name of 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol (CID 141245169) is 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol?
The canonical SMILES for 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol is CC(O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCCl)cc1.
What is the InChIKey of 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol?
The InChIKey is FKGZZZOOFCIQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O/c1-11(27)8-18-25-16-9-14(19(22,23)24)15(21)10-17(16)26(18)13-4-2-12(3-5-13)6-7-20/h2-5,9-11,27H,6-8H2,1H3.
What are the key properties of 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol?
1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol has a molecular weight of 417.26 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 141245169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).