N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide

C14H17N3O — CID 17498145

IUPACN-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
SMILESCCC(=O)NC(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-2-14(18)17-12(10-13-15-8-9-16-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,15,16)(H,17,18)
InChIKeyZHEQJZSZZIHXBX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide (PubChem CID 17498145) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
PubChem CID17498145
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
SMILESCCC(=O)NC(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-2-14(18)17-12(10-13-15-8-9-16-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,15,16)(H,17,18)
InChIKeyZHEQJZSZZIHXBX-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
CID 25345035
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-naphthalen-2-yloxyacetamide
CID 25345693
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613303
(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97326653
N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 97249669
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
CID 54976417
1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
CID 43162765

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide (CID 17498145) is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide is CCC(=O)NC(Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide?
The InChIKey is ZHEQJZSZZIHXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-14(18)17-12(10-13-15-8-9-16-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide?
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide is sourced from PubChem (CID 17498145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).