1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C27H29ClN2O — CID 16996237

IUPAC1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2CCOc2ccccc2Cl)cc1
InChIInChI=1S/C27H29ClN2O/c1-19(2)18-21-12-14-22(15-13-21)20(3)27-29-24-9-5-6-10-25(24)30(27)16-17-31-26-11-7-4-8-23(26)28/h4-15,19-20H,16-18H2,1-3H3
InChIKeyGZOLHAQDAFGGSD-UHFFFAOYSA-N
MW433.00 g/mol
LogP7.12
Rot. Bonds8

About 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 16996237) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID16996237
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2CCOc2ccccc2Cl)cc1
InChIInChI=1S/C27H29ClN2O/c1-19(2)18-21-12-14-22(15-13-21)20(3)27-29-24-9-5-6-10-25(24)30(27)16-17-31-26-11-7-4-8-23(26)28/h4-15,19-20H,16-18H2,1-3H3
InChIKeyGZOLHAQDAFGGSD-UHFFFAOYSA-N
XLogP7.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996236
1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 18879423
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
1-[(2-methoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3269315
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
1-[4-(3-methoxyphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 16996237) is 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2CCOc2ccccc2Cl)cc1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is GZOLHAQDAFGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c1-19(2)18-21-12-14-22(15-13-21)20(3)27-29-24-9-5-6-10-25(24)30(27)16-17-31-26-11-7-4-8-23(26)28/h4-15,19-20H,16-18H2,1-3H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 433.00 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 16996237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).