2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol

C21H21ClF2N2O — CID 66619310

IUPAC2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol
SMILESOCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C21H21ClF2N2O/c22-15-8-6-14(7-9-15)21-25-18-10-16(23)17(24)11-19(18)26(21)20(12-27)13-4-2-1-3-5-13/h6-11,13,20,27H,1-5,12H2
InChIKeyBBFCJQNDZOKFSI-UHFFFAOYSA-N
MW390.86 g/mol
LogP5.75
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol

2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol (PubChem CID 66619310) has the molecular formula C21H21ClF2N2O and a molecular weight of 390.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol
PubChem CID66619310
Molecular FormulaC21H21ClF2N2O
Molecular Weight390.86 g/mol
Exact Mass390.13
IUPAC Name2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol
SMILESOCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C21H21ClF2N2O/c22-15-8-6-14(7-9-15)21-25-18-10-16(23)17(24)11-19(18)26(21)20(12-27)13-4-2-1-3-5-13/h6-11,13,20,27H,1-5,12H2
InChIKeyBBFCJQNDZOKFSI-UHFFFAOYSA-N
XLogP5.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.86
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol (CID 66619310) is 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol is OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol?
The InChIKey is BBFCJQNDZOKFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O/c22-15-8-6-14(7-9-15)21-25-18-10-16(23)17(24)11-19(18)26(21)20(12-27)13-4-2-1-3-5-13/h6-11,13,20,27H,1-5,12H2.
What are the key properties of 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol?
2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol has a molecular weight of 390.86 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethanol is sourced from PubChem (CID 66619310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).