4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide

C25H23N3O — CID 94025465

IUPAC4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O/c1-19-7-11-22(12-8-19)24(21-5-3-2-4-6-21)27-25(29)23-13-9-20(10-14-23)17-28-16-15-26-18-28/h2-16,18,24H,17H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyWOMKFGRAVRXRPP-XMMPIXPASA-N
MW381.48 g/mol
LogP4.76
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide

4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 94025465) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID94025465
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O/c1-19-7-11-22(12-8-19)24(21-5-3-2-4-6-21)27-25(29)23-13-9-20(10-14-23)17-28-16-15-26-18-28/h2-16,18,24H,17H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyWOMKFGRAVRXRPP-XMMPIXPASA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
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

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide (CID 94025465) is 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is WOMKFGRAVRXRPP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23N3O/c1-19-7-11-22(12-8-19)24(21-5-3-2-4-6-21)27-25(29)23-13-9-20(10-14-23)17-28-16-15-26-18-28/h2-16,18,24H,17H2,1H3,(H,27,29)/t24-/m1/s1.
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 94025465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).