1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole

C24H30N2O — CID 18878048

IUPAC1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole
SMILESCCC(Oc1ccccc1)c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C24H30N2O/c1-2-23(27-20-13-7-4-8-14-20)24-25-21-15-9-10-16-22(21)26(24)18-17-19-11-5-3-6-12-19/h4,7-10,13-16,19,23H,2-3,5-6,11-12,17-18H2,1H3
InChIKeyQMJVWZGRZYGGAH-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.54
Rot. Bonds7

About 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole

1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole (PubChem CID 18878048) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole
PubChem CID18878048
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole
SMILESCCC(Oc1ccccc1)c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C24H30N2O/c1-2-23(27-20-13-7-4-8-14-20)24-25-21-15-9-10-16-22(21)26(24)18-17-19-11-5-3-6-12-19/h4,7-10,13-16,19,23H,2-3,5-6,11-12,17-18H2,1H3
InChIKeyQMJVWZGRZYGGAH-UHFFFAOYSA-N
XLogP6.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
1-(2-methylprop-2-enyl)-2-[(1S)-1-phenoxypropyl]benzimidazole
CID 51567496
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
CID 16999112
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878014
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
2-[1-(3-methylphenoxy)propyl]-1-octadecylbenzimidazole
CID 18877891
2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
CID 18877935
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
2-(2-bromophenyl)-1-(2-cyclohexylethyl)benzimidazole
CID 67049730
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
CID 5238000

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole?
The IUPAC name of 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole (CID 18878048) is 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole.
What is the SMILES notation for 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole?
The canonical SMILES for 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole is CCC(Oc1ccccc1)c1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole?
The InChIKey is QMJVWZGRZYGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-23(27-20-13-7-4-8-14-20)24-25-21-15-9-10-16-22(21)26(24)18-17-19-11-5-3-6-12-19/h4,7-10,13-16,19,23H,2-3,5-6,11-12,17-18H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole?
1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole has a molecular weight of 362.52 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-2-(1-phenoxypropyl)benzimidazole is sourced from PubChem (CID 18878048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).