4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide

C19H19N3O — CID 42959098

IUPAC4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-15(17-5-3-2-4-6-17)21-19(23)18-9-7-16(8-10-18)13-22-12-11-20-14-22/h2-12,14-15H,13H2,1H3,(H,21,23)
InChIKeyBOQFDWIJJNKQSC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.42
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide

4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide (PubChem CID 42959098) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
PubChem CID42959098
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-15(17-5-3-2-4-6-17)21-19(23)18-9-7-16(8-10-18)13-22-12-11-20-14-22/h2-12,14-15H,13H2,1H3,(H,21,23)
InChIKeyBOQFDWIJJNKQSC-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94025465
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 94013658
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide (CID 42959098) is 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide?
The InChIKey is BOQFDWIJJNKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15(17-5-3-2-4-6-17)21-19(23)18-9-7-16(8-10-18)13-22-12-11-20-14-22/h2-12,14-15H,13H2,1H3,(H,21,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide?
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42959098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).