N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide

C25H23N3O2 — CID 55453555

IUPACN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
SMILESCOc1cccc(C(NC(=O)c2ccc(-c3ccccc3)cc2)c2nccn2C)c1
InChIInChI=1S/C25H23N3O2/c1-28-16-15-26-24(28)23(21-9-6-10-22(17-21)30-2)27-25(29)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-17,23H,1-2H3,(H,27,29)
InChIKeyMJNMRNDPEZZROJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.62
Rot. Bonds6

About N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide (PubChem CID 55453555) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
PubChem CID55453555
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
SMILESCOc1cccc(C(NC(=O)c2ccc(-c3ccccc3)cc2)c2nccn2C)c1
InChIInChI=1S/C25H23N3O2/c1-28-16-15-26-24(28)23(21-9-6-10-22(17-21)30-2)27-25(29)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-17,23H,1-2H3,(H,27,29)
InChIKeyMJNMRNDPEZZROJ-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 31505088
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide (CID 55453555) is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide is COc1cccc(C(NC(=O)c2ccc(-c3ccccc3)cc2)c2nccn2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
The InChIKey is MJNMRNDPEZZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-28-16-15-26-24(28)23(21-9-6-10-22(17-21)30-2)27-25(29)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-17,23H,1-2H3,(H,27,29).
What are the key properties of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 55453555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).