N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide

C17H17N3O — CID 1474210

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
SMILESCc1cc2nc(CNC(=O)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C17H17N3O/c1-11-8-14-15(9-12(11)2)20-16(19-14)10-18-17(21)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNGJAPMAFKYPWBV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.11
Rot. Bonds3

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide (PubChem CID 1474210) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
PubChem CID1474210
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
SMILESCc1cc2nc(CNC(=O)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C17H17N3O/c1-11-8-14-15(9-12(11)2)20-16(19-14)10-18-17(21)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNGJAPMAFKYPWBV-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
CID 125170749
1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
CID 121496596
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide (CID 1474210) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide is Cc1cc2nc(CNC(=O)c3ccccc3)[nH]c2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
The InChIKey is NGJAPMAFKYPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-14-15(9-12(11)2)20-16(19-14)10-18-17(21)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 1474210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).