2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole

C24H29ClN2O — CID 16999112

IUPAC2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
SMILESCc1cc(OC(C)c2nc3ccccc3n2CCC2CCCCC2)ccc1Cl
InChIInChI=1S/C24H29ClN2O/c1-17-16-20(12-13-21(17)25)28-18(2)24-26-22-10-6-7-11-23(22)27(24)15-14-19-8-4-3-5-9-19/h6-7,10-13,16,18-19H,3-5,8-9,14-15H2,1-2H3
InChIKeyBABCJJQDUSQXHG-UHFFFAOYSA-N
MW396.96 g/mol
LogP7.11
Rot. Bonds6

About 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole

2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 16999112) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
PubChem CID16999112
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
SMILESCc1cc(OC(C)c2nc3ccccc3n2CCC2CCCCC2)ccc1Cl
InChIInChI=1S/C24H29ClN2O/c1-17-16-20(12-13-21(17)25)28-18(2)24-26-22-10-6-7-11-23(22)27(24)15-14-19-8-4-3-5-9-19/h6-7,10-13,16,18-19H,3-5,8-9,14-15H2,1-2H3
InChIKeyBABCJJQDUSQXHG-UHFFFAOYSA-N
XLogP7.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999210
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 16999069
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999140
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
CID 16999090
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 16999173
1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole
CID 18878048
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16999203
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
CID 5238000
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole (CID 16999112) is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole is Cc1cc(OC(C)c2nc3ccccc3n2CCC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is BABCJJQDUSQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O/c1-17-16-20(12-13-21(17)25)28-18(2)24-26-22-10-6-7-11-23(22)27(24)15-14-19-8-4-3-5-9-19/h6-7,10-13,16,18-19H,3-5,8-9,14-15H2,1-2H3.
What are the key properties of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole?
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 396.96 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 16999112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).