3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

C19H25N3O — CID 37426831

IUPAC3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H25N3O/c23-19(10-9-16-3-1-2-4-16)21-13-17-5-7-18(8-6-17)14-22-12-11-20-15-22/h5-8,11-12,15-16H,1-4,9-10,13-14H2,(H,21,23)
InChIKeyGQYALUYIMXXMDM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.52
Rot. Bonds7

About 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 37426831) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID37426831
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H25N3O/c23-19(10-9-16-3-1-2-4-16)21-13-17-5-7-18(8-6-17)14-22-12-11-20-15-22/h5-8,11-12,15-16H,1-4,9-10,13-14H2,(H,21,23)
InChIKeyGQYALUYIMXXMDM-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 111430641
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
CID 43094957
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
3-amino-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838606
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 37425808
3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46449436
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
CID 47027170
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide (CID 37426831) is 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCC1CCCC1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is GQYALUYIMXXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(10-9-16-3-1-2-4-16)21-13-17-5-7-18(8-6-17)14-22-12-11-20-15-22/h5-8,11-12,15-16H,1-4,9-10,13-14H2,(H,21,23).
What are the key properties of 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 37426831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).