N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide

C18H17N3O — CID 7694012

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c22-18(20-11-10-17-12-19-13-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,19,21)(H,20,22)
InChIKeyPGTCXULNTZOCOX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide (PubChem CID 7694012) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
PubChem CID7694012
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c22-18(20-11-10-17-12-19-13-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,19,21)(H,20,22)
InChIKeyPGTCXULNTZOCOX-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
3-(1H-imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 5714572
(2S)-2-[(4-{[(1H-imidazol-4-ylmethyl)amino]methyl}-2-(2-methylphenyl)phenyl)formamido]-4-(methylsulfanyl)butanoic acid
CID 9981319
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
6-((2-(1H-Imidazol-5-yl)ethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide
CID 124846
ethyl N-[3-[(R)-[4-[ethyl(methyl)carbamoyl]phenyl]-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]phenyl]carbamate
CID 57395447
ethyl N-[3-[(R)-[4-[ethyl(methyl)carbamoyl]phenyl]-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]carbamate
CID 57402466
4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide (CID 7694012) is N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide is O=C(NCCc1cnc[nH]1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
The InChIKey is PGTCXULNTZOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(20-11-10-17-12-19-13-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.05, 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-5-yl)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 7694012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).