3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide

C25H23N3O2 — CID 52935148

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(-c3ccccc3)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23N3O2/c1-18-16-28(17-27-18)23-12-11-22(14-24(23)30-2)25(29)26-15-19-7-6-10-21(13-19)20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,26,29)
InChIKeyQBWUMDIDUYZQRG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds6

About 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide

3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide (PubChem CID 52935148) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
PubChem CID52935148
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(-c3ccccc3)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23N3O2/c1-18-16-28(17-27-18)23-12-11-22(14-24(23)30-2)25(29)26-15-19-7-6-10-21(13-19)20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,26,29)
InChIKeyQBWUMDIDUYZQRG-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[1-(3H-Imidazol-4-ylmethyl)-7-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-2-(4-methoxy-phenyl)-ethane-1,2-dione
CID 10837934
(E)-N-biphenyl-3-ylmethyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acrylamide
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(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one
CID 16738853
(3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 24781472
(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
CID 25187263
2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
CID 25225345
(5Z)-2-amino-3-[(4-fluorophenyl)methyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
CID 25255222
(5Z)-2-amino-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
CID 25255427
(5Z)-2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide (CID 52935148) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide is COc1cc(C(=O)NCc2cccc(-c3ccccc3)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide?
The InChIKey is QBWUMDIDUYZQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18-16-28(17-27-18)23-12-11-22(14-24(23)30-2)25(29)26-15-19-7-6-10-21(13-19)20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,26,29).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 52935148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).