2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

C23H28N2O2 — CID 16996621

IUPAC2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H28N2O2/c1-26-19-11-7-12-20(17-19)27-16-8-15-25-22-14-6-5-13-21(22)24-23(25)18-9-3-2-4-10-18/h5-7,11-14,17-18H,2-4,8-10,15-16H2,1H3
InChIKeyYGHWJKXDNWDTAY-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.56
Rot. Bonds7

About 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (PubChem CID 16996621) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
PubChem CID16996621
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H28N2O2/c1-26-19-11-7-12-20(17-19)27-16-8-15-25-22-14-6-5-13-21(22)24-23(25)18-9-3-2-4-10-18/h5-7,11-14,17-18H,2-4,8-10,15-16H2,1H3
InChIKeyYGHWJKXDNWDTAY-UHFFFAOYSA-N
XLogP5.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
1-(2,5-dimethoxyphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003856
1-[3-(4-butan-2-ylphenoxy)propyl]-2-cyclohexylbenzimidazole
CID 16996626
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1-(3,4-dimethylphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004372
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
1-(3,5-dimethylphenyl)-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004261
(4R)-1-benzyl-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813436

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (CID 16996621) is 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is COc1cccc(OCCCn2c(C3CCCCC3)nc3ccccc32)c1.
What is the InChIKey of 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is YGHWJKXDNWDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-26-19-11-7-12-20(17-19)27-16-8-15-25-22-14-6-5-13-21(22)24-23(25)18-9-3-2-4-10-18/h5-7,11-14,17-18H,2-4,8-10,15-16H2,1H3.
What are the key properties of 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole has a molecular weight of 364.49 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16996621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).