3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol

C11H10ClF3N2O — CID 79872192

IUPAC3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCn1c(CC(O)C(F)(F)F)nc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClF3N2O/c1-17-8-3-2-6(12)4-7(8)16-10(17)5-9(18)11(13,14)15/h2-4,9,18H,5H2,1H3
InChIKeyXCVHEHXKTMOVPF-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.69
Rot. Bonds2

About 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol

3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 79872192) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID79872192
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCn1c(CC(O)C(F)(F)F)nc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClF3N2O/c1-17-8-3-2-6(12)4-7(8)16-10(17)5-9(18)11(13,14)15/h2-4,9,18H,5H2,1H3
InChIKeyXCVHEHXKTMOVPF-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 1-(1-methyl-2-benzimidazolyl)-
CID 97831
(1-methyl-1H-1,3-benzodiazol-2-yl)methanol
CID 344177
5,6-Dichloro-1,2-dimethylbenzimidazole
CID 840715
2-(2-Methyl-1H-benzimidazol-1-yl)ethan-1-ol
CID 761926
5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 113622
6-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 10419809
1-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590807
1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590868
5-chloro-2-methyl-1-phenyl-1H-benzimidazole
CID 97024
1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-
CID 76064
1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
CID 76717
5-Chloro-1,2-dimethyl-1H-benzimidazole
CID 13032420

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol (CID 79872192) is 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol is Cn1c(CC(O)C(F)(F)F)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is XCVHEHXKTMOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-17-8-3-2-6(12)4-7(8)16-10(17)5-9(18)11(13,14)15/h2-4,9,18H,5H2,1H3.
What are the key properties of 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 278.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 79872192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).