N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide

C19H19N3O — CID 56752435

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1cccc(C(=O)N(C)Cc2ncc[nH]2)c1
InChIInChI=1S/C19H19N3O/c1-14-6-3-4-9-17(14)15-7-5-8-16(12-15)19(23)22(2)13-18-20-10-11-21-18/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyZTQPWCXGFGTKPK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.66
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide (PubChem CID 56752435) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide
PubChem CID56752435
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1cccc(C(=O)N(C)Cc2ncc[nH]2)c1
InChIInChI=1S/C19H19N3O/c1-14-6-3-4-9-17(14)15-7-5-8-16(12-15)19(23)22(2)13-18-20-10-11-21-18/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyZTQPWCXGFGTKPK-UHFFFAOYSA-N
XLogP3.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
4-[(2S)-2-amino-3-[benzyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 71449607
N-[3-(1H-imidazol-1-yl)propyl][1,1'-biphenyl]-4-carboxamide
CID 3433998
4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide
CID 4593448
2-Fluoro-N-(3-imidazol-1-yl-propyl)-benzamide
CID 17065330
1H-imidazol-2-yl[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 2841856
N-[3-(1H-imidazol-1-yl)propyl]-4-iodobenzamide
CID 4877443

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide (CID 56752435) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide is Cc1ccccc1-c1cccc(C(=O)N(C)Cc2ncc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide?
The InChIKey is ZTQPWCXGFGTKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-6-3-4-9-17(14)15-7-5-8-16(12-15)19(23)22(2)13-18-20-10-11-21-18/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-methylphenyl)benzamide is sourced from PubChem (CID 56752435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).