3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide

C18H25N3O2 — CID 122230769

IUPAC3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
SMILESO=C(CCn1cnc2ccccc21)NC(CO)C1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-12-16(14-6-2-1-3-7-14)20-18(23)10-11-21-13-19-15-8-4-5-9-17(15)21/h4-5,8-9,13-14,16,22H,1-3,6-7,10-12H2,(H,20,23)
InChIKeyUYEYODSUJLCLGQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.48
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide

3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide (PubChem CID 122230769) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
PubChem CID122230769
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
SMILESO=C(CCn1cnc2ccccc21)NC(CO)C1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-12-16(14-6-2-1-3-7-14)20-18(23)10-11-21-13-19-15-8-4-5-9-17(15)21/h4-5,8-9,13-14,16,22H,1-3,6-7,10-12H2,(H,20,23)
InChIKeyUYEYODSUJLCLGQ-UHFFFAOYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
CID 122230767
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
2-(benzimidazol-1-yl)-1-cyclohexylethanamine
CID 113448385
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide (CID 122230769) is 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide is O=C(CCn1cnc2ccccc21)NC(CO)C1CCCCC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide?
The InChIKey is UYEYODSUJLCLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-12-16(14-6-2-1-3-7-14)20-18(23)10-11-21-13-19-15-8-4-5-9-17(15)21/h4-5,8-9,13-14,16,22H,1-3,6-7,10-12H2,(H,20,23).
What are the key properties of 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide?
3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide is sourced from PubChem (CID 122230769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).