5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole

C13H14N4 — CID 103511219

IUPAC5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
SMILESCc1cc2nc(-c3cncn3C)[nH]c2cc1C
InChIInChI=1S/C13H14N4/c1-8-4-10-11(5-9(8)2)16-13(15-10)12-6-14-7-17(12)3/h4-7H,1-3H3,(H,15,16)
InChIKeyBGCKGWYUWDADJJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.58
Rot. Bonds1

About 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole

5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole (PubChem CID 103511219) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
PubChem CID103511219
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
SMILESCc1cc2nc(-c3cncn3C)[nH]c2cc1C
InChIInChI=1S/C13H14N4/c1-8-4-10-11(5-9(8)2)16-13(15-10)12-6-14-7-17(12)3/h4-7H,1-3H3,(H,15,16)
InChIKeyBGCKGWYUWDADJJ-UHFFFAOYSA-N
XLogP2.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole (CID 103511219) is 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole is Cc1cc2nc(-c3cncn3C)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
The InChIKey is BGCKGWYUWDADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-4-10-11(5-9(8)2)16-13(15-10)12-6-14-7-17(12)3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole?
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole has a molecular weight of 226.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 103511219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).