N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide

C16H19N3O — CID 171135015

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
SMILESCCC(NC(=O)C=Cc1ccccc1)c1ncc(C)[nH]1
InChIInChI=1S/C16H19N3O/c1-3-14(16-17-11-12(2)18-16)19-15(20)10-9-13-7-5-4-6-8-13/h4-11,14H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWWLUCGZVINKAMW-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide

N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide (PubChem CID 171135015) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
PubChem CID171135015
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
SMILESCCC(NC(=O)C=Cc1ccccc1)c1ncc(C)[nH]1
InChIInChI=1S/C16H19N3O/c1-3-14(16-17-11-12(2)18-16)19-15(20)10-9-13-7-5-4-6-8-13/h4-11,14H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWWLUCGZVINKAMW-UHFFFAOYSA-N
XLogP3.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 95304316
trimethyl-[1-(3-phenylprop-2-enoylamino)propyl]azanium
CID 69232874
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530
(E)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 122571400
(2R)-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79024008
2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71386191
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide
CID 47074568
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
CID 133158369
1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
CID 97455583
diethyl 2-(3-phenylprop-2-enoylamino)propanedioate
CID 141472099

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide (CID 171135015) is N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide is CCC(NC(=O)C=Cc1ccccc1)c1ncc(C)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide?
The InChIKey is WWLUCGZVINKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-14(16-17-11-12(2)18-16)19-15(20)10-9-13-7-5-4-6-8-13/h4-11,14H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide?
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide has a molecular weight of 269.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171135015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).