2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole

C25H30N2O2 — CID 16996609

IUPAC2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccc(OCCn2c(C3CCCCC3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C25H30N2O2/c1-3-9-19-14-15-23(24(18-19)28-2)29-17-16-27-22-13-8-7-12-21(22)26-25(27)20-10-5-4-6-11-20/h3,7-8,12-15,18,20H,1,4-6,9-11,16-17H2,2H3
InChIKeyFLRYLLRLDLSOIA-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.90
Rot. Bonds8

About 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole

2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole (PubChem CID 16996609) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
PubChem CID16996609
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccc(OCCn2c(C3CCCCC3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C25H30N2O2/c1-3-9-19-14-15-23(24(18-19)28-2)29-17-16-27-22-13-8-7-12-21(22)26-25(27)20-10-5-4-6-11-20/h3,7-8,12-15,18,20H,1,4-6,9-11,16-17H2,2H3
InChIKeyFLRYLLRLDLSOIA-UHFFFAOYSA-N
XLogP5.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-4-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965153
4-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002565
(4R)-1-benzyl-4-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813447
2-(2,4-dimethylphenyl)-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16987566
1-(4-butylphenyl)-4-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005117
1-(2,4-dimethylphenyl)-4-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002910
1-(3-bromophenyl)-4-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005874
2-[3-(azepan-1-yl)propyl]-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 18885599
1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996236
2-(4-methoxyphenyl)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001340
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969998

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole (CID 16996609) is 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole is C=CCc1ccc(OCCn2c(C3CCCCC3)nc3ccccc32)c(OC)c1.
What is the InChIKey of 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
The InChIKey is FLRYLLRLDLSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-9-19-14-15-23(24(18-19)28-2)29-17-16-27-22-13-8-7-12-21(22)26-25(27)20-10-5-4-6-11-20/h3,7-8,12-15,18,20H,1,4-6,9-11,16-17H2,2H3.
What are the key properties of 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole has a molecular weight of 390.53 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16996609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).