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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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).