N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide

C23H20N4O — CID 68512339

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C23H20N4O/c28-23(21-8-6-18(7-9-21)19-10-12-24-13-11-19)26-22(16-27-15-14-25-17-27)20-4-2-1-3-5-20/h1-15,17,22H,16H2,(H,26,28)
InChIKeySRGVIOXRPMPLML-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.12
Rot. Bonds6

About N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide

N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide (PubChem CID 68512339) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
PubChem CID68512339
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C23H20N4O/c28-23(21-8-6-18(7-9-21)19-10-12-24-13-11-19)26-22(16-27-15-14-25-17-27)20-4-2-1-3-5-20/h1-15,17,22H,16H2,(H,26,28)
InChIKeySRGVIOXRPMPLML-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide (CID 68512339) is N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide is O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide?
The InChIKey is SRGVIOXRPMPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(21-8-6-18(7-9-21)19-10-12-24-13-11-19)26-22(16-27-15-14-25-17-27)20-4-2-1-3-5-20/h1-15,17,22H,16H2,(H,26,28).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide?
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68512339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).