4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide

C20H22N4O — CID 138041303

IUPAC4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-21-20(25)18-7-3-16(4-8-18)13-23(2)14-17-5-9-19(10-6-17)24-12-11-22-15-24/h3-12,15H,13-14H2,1-2H3,(H,21,25)
InChIKeyXNTYNVXVXGZOLB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.86
Rot. Bonds6

About 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide

4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 138041303) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID138041303
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-21-20(25)18-7-3-16(4-8-18)13-23(2)14-17-5-9-19(10-6-17)24-12-11-22-15-24/h3-12,15H,13-14H2,1-2H3,(H,21,25)
InChIKeyXNTYNVXVXGZOLB-UHFFFAOYSA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
CID 56720189
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 70734697
3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86850598
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide (CID 138041303) is 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)Cc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is XNTYNVXVXGZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-21-20(25)18-7-3-16(4-8-18)13-23(2)14-17-5-9-19(10-6-17)24-12-11-22-15-24/h3-12,15H,13-14H2,1-2H3,(H,21,25).
What are the key properties of 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 138041303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).