N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide

C16H15N3O — CID 2082902

IUPACN-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H15N3O/c1-10-7-8-11(2)12(9-10)15(20)19-16-17-13-5-3-4-6-14(13)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyQQRZPBXSAWQKBU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.43
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide

N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide (PubChem CID 2082902) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
PubChem CID2082902
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H15N3O/c1-10-7-8-11(2)12(9-10)15(20)19-16-17-13-5-3-4-6-14(13)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyQQRZPBXSAWQKBU-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide (CID 2082902) is N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide?
The InChIKey is QQRZPBXSAWQKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-8-11(2)12(9-10)15(20)19-16-17-13-5-3-4-6-14(13)18-16/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide?
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 2082902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).