3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C20H18N4O2 — CID 47014722

IUPAC3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1cccc(C(NC(=O)c2cccc(C#N)c2)c2nccn2C)c1
InChIInChI=1S/C20H18N4O2/c1-24-10-9-22-19(24)18(15-6-4-8-17(12-15)26-2)23-20(25)16-7-3-5-14(11-16)13-21/h3-12,18H,1-2H3,(H,23,25)
InChIKeyQRHZAGOQNXCGLS-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds5

About 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 47014722) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID47014722
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1cccc(C(NC(=O)c2cccc(C#N)c2)c2nccn2C)c1
InChIInChI=1S/C20H18N4O2/c1-24-10-9-22-19(24)18(15-6-4-8-17(12-15)26-2)23-20(25)16-7-3-5-14(11-16)13-21/h3-12,18H,1-2H3,(H,23,25)
InChIKeyQRHZAGOQNXCGLS-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

Analyze 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 31505088
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
2-(4-cyanoanilino)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47079560
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
CID 46971613
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 47014722) is 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1cccc(C(NC(=O)c2cccc(C#N)c2)c2nccn2C)c1.
What is the InChIKey of 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is QRHZAGOQNXCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-10-9-22-19(24)18(15-6-4-8-17(12-15)26-2)23-20(25)16-7-3-5-14(11-16)13-21/h3-12,18H,1-2H3,(H,23,25).
What are the key properties of 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
3-cyano-N-[(3-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 3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 47014722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).