N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide

C26H25N3O2 — CID 56506117

IUPACN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)c2)c1
InChIInChI=1S/C26H25N3O2/c1-19-5-3-6-22(15-19)18-31-25-8-4-7-23(16-25)26(30)28-24-11-9-21(10-12-24)17-29-14-13-27-20(29)2/h3-16H,17-18H2,1-2H3,(H,28,30)
InChIKeyFBSFWWZLPNPPDP-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.38
Rot. Bonds7

About N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide

N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide (PubChem CID 56506117) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
PubChem CID56506117
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)c2)c1
InChIInChI=1S/C26H25N3O2/c1-19-5-3-6-22(15-19)18-31-25-8-4-7-23(16-25)26(30)28-24-11-9-21(10-12-24)17-29-14-13-27-20(29)2/h3-16H,17-18H2,1-2H3,(H,28,30)
InChIKeyFBSFWWZLPNPPDP-UHFFFAOYSA-N
XLogP5.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 56577119
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 38735897
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
CID 56573902
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
5-[(2,4-dimethylphenoxy)methyl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56577149

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide (CID 56506117) is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2cccc(C(=O)Nc3ccc(Cn4ccnc4C)cc3)c2)c1.
What is the InChIKey of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is FBSFWWZLPNPPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-19-5-3-6-22(15-19)18-31-25-8-4-7-23(16-25)26(30)28-24-11-9-21(10-12-24)17-29-14-13-27-20(29)2/h3-16H,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide?
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 56506117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).