4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C20H18N4O2 — CID 42923268

IUPAC4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(C#N)cc1)c1nccn1C
InChIInChI=1S/C20H18N4O2/c1-24-12-11-22-19(24)18(16-5-3-4-6-17(16)26-2)23-20(25)15-9-7-14(13-21)8-10-15/h3-12,18H,1-2H3,(H,23,25)
InChIKeySLWGGTQZUWVTFG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds5

About 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 42923268) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID42923268
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(C#N)cc1)c1nccn1C
InChIInChI=1S/C20H18N4O2/c1-24-12-11-22-19(24)18(16-5-3-4-6-17(16)26-2)23-20(25)15-9-7-14(13-21)8-10-15/h3-12,18H,1-2H3,(H,23,25)
InChIKeySLWGGTQZUWVTFG-UHFFFAOYSA-N
XLogP2.82
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 166185377
3-(difluoromethoxy)-4-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55759400
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 24660553
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 41015325
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 42923268) is 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1ccccc1C(NC(=O)c1ccc(C#N)cc1)c1nccn1C.
What is the InChIKey of 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is SLWGGTQZUWVTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-12-11-22-19(24)18(16-5-3-4-6-17(16)26-2)23-20(25)15-9-7-14(13-21)8-10-15/h3-12,18H,1-2H3,(H,23,25).
What are the key properties of 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 42923268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).