N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide

C17H17N3O — CID 842447

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C17H17N3O/c1-11-5-4-6-13(9-11)17(21)19-14-7-8-16-15(10-14)18-12(2)20(16)3/h4-10H,1-3H3,(H,19,21)
InChIKeyBBNBOOAZPXCMTQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide

N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide (PubChem CID 842447) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide
PubChem CID842447
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C17H17N3O/c1-11-5-4-6-13(9-11)17(21)19-14-7-8-16-15(10-14)18-12(2)20(16)3/h4-10H,1-3H3,(H,19,21)
InChIKeyBBNBOOAZPXCMTQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide (CID 842447) is N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide?
The InChIKey is BBNBOOAZPXCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-5-4-6-13(9-11)17(21)19-14-7-8-16-15(10-14)18-12(2)20(16)3/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide?
N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-3-methylbenzamide is sourced from PubChem (CID 842447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).