N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide

C25H23N3O — CID 95297781

IUPACN-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H23N3O/c29-25(23-13-11-21(12-14-23)18-28-16-15-26-19-28)27-24(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-16,19,24H,17-18H2,(H,27,29)/t24-/m1/s1
InChIKeyPXOUMQFSSIWRED-XMMPIXPASA-N
MW381.48 g/mol
LogP4.65
Rot. Bonds7

About N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide

N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 95297781) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID95297781
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H23N3O/c29-25(23-13-11-21(12-14-23)18-28-16-15-26-19-28)27-24(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-16,19,24H,17-18H2,(H,27,29)/t24-/m1/s1
InChIKeyPXOUMQFSSIWRED-XMMPIXPASA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94025465
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide (CID 95297781) is N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide is O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is PXOUMQFSSIWRED-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(23-13-11-21(12-14-23)18-28-16-15-26-19-28)27-24(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-16,19,24H,17-18H2,(H,27,29)/t24-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 95297781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).