1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol

C26H27ClN2O — CID 66561075

IUPAC1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol
SMILESCC(C)Cc1ccc(C(C)c2nc3cc(O)ccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2O/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-28-24-15-22(30)12-13-25(24)29(26)16-21-6-4-5-7-23(21)27/h4-13,15,17-18,30H,14,16H2,1-3H3
InChIKeyTZVVOZFYRZMHAC-UHFFFAOYSA-N
MW418.97 g/mol
LogP6.79
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol

1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol (PubChem CID 66561075) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol
PubChem CID66561075
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol
SMILESCC(C)Cc1ccc(C(C)c2nc3cc(O)ccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2O/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-28-24-15-22(30)12-13-25(24)29(26)16-21-6-4-5-7-23(21)27/h4-13,15,17-18,30H,14,16H2,1-3H3
InChIKeyTZVVOZFYRZMHAC-UHFFFAOYSA-N
XLogP6.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol (CID 66561075) is 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol is CC(C)Cc1ccc(C(C)c2nc3cc(O)ccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol?
The InChIKey is TZVVOZFYRZMHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-28-24-15-22(30)12-13-25(24)29(26)16-21-6-4-5-7-23(21)27/h4-13,15,17-18,30H,14,16H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol?
1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol has a molecular weight of 418.97 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-ol is sourced from PubChem (CID 66561075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).