N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide

C17H17N3O — CID 36516617

IUPACN-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)17(21)20(2)11-16-18-14-5-3-4-6-15(14)19-16/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyYDZKTRUQLOQPEG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide (PubChem CID 36516617) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
PubChem CID36516617
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)17(21)20(2)11-16-18-14-5-3-4-6-15(14)19-16/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyYDZKTRUQLOQPEG-UHFFFAOYSA-N
XLogP3.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36518051
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467875
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
CID 154841203
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-(1H-benzimidazol-2-ylmethyl)-3-ethoxy-N-methyl-4-(2-phenoxyethoxy)benzamide
CID 36515647
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-3-oxo-1,2,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 70059809
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 86859930
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide (CID 36516617) is N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide?
The InChIKey is YDZKTRUQLOQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)17(21)20(2)11-16-18-14-5-3-4-6-15(14)19-16/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 36516617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).