ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide

C28H33N3O — CID 161441611

IUPACethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
SMILESCC.CC.O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O.2C2H6/c28-24(22-13-11-20(12-14-22)19-7-3-1-4-8-19)26-23(17-27-16-15-25-18-27)21-9-5-2-6-10-21;2*1-2/h1-16,18,23H,17H2,(H,26,28);2*1-2H3
InChIKeyVZIPWXDDVGMFRD-UHFFFAOYSA-N
MW427.59 g/mol
LogP6.77
Rot. Bonds6

About ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide

ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide (PubChem CID 161441611) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide.

Molecular Properties

Compound Nameethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
PubChem CID161441611
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Nameethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
SMILESCC.CC.O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O.2C2H6/c28-24(22-13-11-20(12-14-22)19-7-3-1-4-8-19)26-23(17-27-16-15-25-18-27)21-9-5-2-6-10-21;2*1-2/h1-16,18,23H,17H2,(H,26,28);2*1-2H3
InChIKeyVZIPWXDDVGMFRD-UHFFFAOYSA-N
XLogP6.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide?
The IUPAC name of ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide (CID 161441611) is ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide.
What is the SMILES notation for ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide?
The canonical SMILES for ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide is CC.CC.O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide?
The InChIKey is VZIPWXDDVGMFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O.2C2H6/c28-24(22-13-11-20(12-14-22)19-7-3-1-4-8-19)26-23(17-27-16-15-25-18-27)21-9-5-2-6-10-21;2*1-2/h1-16,18,23H,17H2,(H,26,28);2*1-2H3.
What are the key properties of ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide?
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide has a molecular weight of 427.59 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide is sourced from PubChem (CID 161441611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).