2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole

C22H25ClN2O — CID 3631447

IUPAC2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1
InChIInChI=1S/C22H25ClN2O/c23-18-10-12-19(13-11-18)26-16-22-24-20-8-4-5-9-21(20)25(22)15-14-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2
InChIKeyDAWKNKBNMAIEHV-UHFFFAOYSA-N
MW368.91 g/mol
LogP6.24
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole

2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 3631447) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
PubChem CID3631447
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1
InChIInChI=1S/C22H25ClN2O/c23-18-10-12-19(13-11-18)26-16-22-24-20-8-4-5-9-21(20)25(22)15-14-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2
InChIKeyDAWKNKBNMAIEHV-UHFFFAOYSA-N
XLogP6.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 10601376
tert-butyl 4-[3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate
CID 10624700
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-[(4-chlorophenoxy)methyl]-4-(cyclohexylmethoxy)-1-(3-piperidin-4-ylpropyl)benzimidazole
CID 20669101
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole (CID 3631447) is 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole is Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is DAWKNKBNMAIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-18-10-12-19(13-11-18)26-16-22-24-20-8-4-5-9-21(20)25(22)15-14-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 368.91 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 3631447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).