cyclohexyl 4-(benzimidazol-1-yl)butanoate

C17H22N2O2 — CID 58743722

IUPACcyclohexyl 4-(benzimidazol-1-yl)butanoate
SMILESO=C(CCCn1cnc2ccccc21)OC1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-17(21-14-7-2-1-3-8-14)11-6-12-19-13-18-15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,1-3,6-8,11-12H2
InChIKeyUJGHETDBYILZGE-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.69
Rot. Bonds5

About cyclohexyl 4-(benzimidazol-1-yl)butanoate

cyclohexyl 4-(benzimidazol-1-yl)butanoate (PubChem CID 58743722) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is cyclohexyl 4-(benzimidazol-1-yl)butanoate.

Molecular Properties

Compound Namecyclohexyl 4-(benzimidazol-1-yl)butanoate
PubChem CID58743722
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Namecyclohexyl 4-(benzimidazol-1-yl)butanoate
SMILESO=C(CCCn1cnc2ccccc21)OC1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-17(21-14-7-2-1-3-8-14)11-6-12-19-13-18-15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,1-3,6-8,11-12H2
InChIKeyUJGHETDBYILZGE-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(benzimidazol-1-yl)butanoate
CID 154459478
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
cyclohexyl 2-(benzotriazol-1-yl)acetate
CID 102603743
1-(6-chlorohexyl)benzimidazole
CID 62228178
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
CID 54016386
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
CID 122230769
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
cyclododecyl 4-phenylbutanoate
CID 23159480
(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95157495

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(benzimidazol-1-yl)butanoate?
The IUPAC name of cyclohexyl 4-(benzimidazol-1-yl)butanoate (CID 58743722) is cyclohexyl 4-(benzimidazol-1-yl)butanoate.
What is the SMILES notation for cyclohexyl 4-(benzimidazol-1-yl)butanoate?
The canonical SMILES for cyclohexyl 4-(benzimidazol-1-yl)butanoate is O=C(CCCn1cnc2ccccc21)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-(benzimidazol-1-yl)butanoate?
The InChIKey is UJGHETDBYILZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(21-14-7-2-1-3-8-14)11-6-12-19-13-18-15-9-4-5-10-16(15)19/h4-5,9-10,13-14H,1-3,6-8,11-12H2.
What are the key properties of cyclohexyl 4-(benzimidazol-1-yl)butanoate?
cyclohexyl 4-(benzimidazol-1-yl)butanoate has a molecular weight of 286.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(benzimidazol-1-yl)butanoate is sourced from PubChem (CID 58743722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).