2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole

C23H28N2O — CID 16996610

IUPAC2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1cc(C)cc(OCCn2c(C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H28N2O/c1-17-14-18(2)16-20(15-17)26-13-12-25-22-11-7-6-10-21(22)24-23(25)19-8-4-3-5-9-19/h6-7,10-11,14-16,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyNRQNBJUHWGJROB-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.78
Rot. Bonds5

About 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole

2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole (PubChem CID 16996610) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
PubChem CID16996610
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1cc(C)cc(OCCn2c(C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H28N2O/c1-17-14-18(2)16-20(15-17)26-13-12-25-22-11-7-6-10-21(22)24-23(25)19-8-4-3-5-9-19/h6-7,10-11,14-16,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyNRQNBJUHWGJROB-UHFFFAOYSA-N
XLogP5.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002423
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
1-cyclohexyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005389
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179986
2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
CID 18878595
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 35179890
(4S)-1-(2-chlorophenyl)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775493
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814165
(4S)-1-(4-chlorophenyl)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814015
1-[3-(4-butan-2-ylphenoxy)propyl]-2-cyclohexylbenzimidazole
CID 16996626
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 17004855

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole (CID 16996610) is 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole is Cc1cc(C)cc(OCCn2c(C3CCCCC3)nc3ccccc32)c1.
What is the InChIKey of 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole?
The InChIKey is NRQNBJUHWGJROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-14-18(2)16-20(15-17)26-13-12-25-22-11-7-6-10-21(22)24-23(25)19-8-4-3-5-9-19/h6-7,10-11,14-16,19H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole?
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole has a molecular weight of 348.49 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16996610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).