[6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol

C17H14ClF3N2O2 — CID 142454056

IUPAC[6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2cc(OCc3ccccc3)c(Cl)cc2n1CC(F)(F)F
InChIInChI=1S/C17H14ClF3N2O2/c18-12-6-14-13(22-16(8-24)23(14)10-17(19,20)21)7-15(12)25-9-11-4-2-1-3-5-11/h1-7,24H,8-10H2
InChIKeyLSHPYWAKBODHPY-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.32
Rot. Bonds5

About [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol

[6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol (PubChem CID 142454056) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol
PubChem CID142454056
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name[6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2cc(OCc3ccccc3)c(Cl)cc2n1CC(F)(F)F
InChIInChI=1S/C17H14ClF3N2O2/c18-12-6-14-13(22-16(8-24)23(14)10-17(19,20)21)7-15(12)25-9-11-4-2-1-3-5-11/h1-7,24H,8-10H2
InChIKeyLSHPYWAKBODHPY-UHFFFAOYSA-N
XLogP4.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-1-[(4-isocyanophenyl)methyl]-6-phenylmethoxybenzimidazol-2-yl]methanol
CID 157481169
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358909
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol?
The IUPAC name of [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol (CID 142454056) is [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol is OCc1nc2cc(OCc3ccccc3)c(Cl)cc2n1CC(F)(F)F.
What is the InChIKey of [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol?
The InChIKey is LSHPYWAKBODHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-12-6-14-13(22-16(8-24)23(14)10-17(19,20)21)7-15(12)25-9-11-4-2-1-3-5-11/h1-7,24H,8-10H2.
What are the key properties of [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol?
[6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol has a molecular weight of 370.76 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 142454056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).