N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide

C18H23N3O — CID 166627921

IUPACN-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C18H23N3O/c1-20(17(22)13-21-12-11-19-14-21)18(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,11-12,14,16,18H,5-6,9-10,13H2,1H3
InChIKeyKPKIISUDIQHZHT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.27
Rot. Bonds5

About N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide

N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide (PubChem CID 166627921) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
PubChem CID166627921
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C18H23N3O/c1-20(17(22)13-21-12-11-19-14-21)18(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,11-12,14,16,18H,5-6,9-10,13H2,1H3
InChIKeyKPKIISUDIQHZHT-UHFFFAOYSA-N
XLogP3.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide (CID 166627921) is N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide is CN(C(=O)Cn1ccnc1)C(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is KPKIISUDIQHZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20(17(22)13-21-12-11-19-14-21)18(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,11-12,14,16,18H,5-6,9-10,13H2,1H3.
What are the key properties of N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide?
N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 166627921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).