1-methyl-2-(1-methylimidazol-2-yl)benzimidazole

C12H12N4 — CID 71348433

IUPAC1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
SMILESCn1ccnc1-c1nc2ccccc2n1C
InChIInChI=1S/C12H12N4/c1-15-8-7-13-11(15)12-14-9-5-3-4-6-10(9)16(12)2/h3-8H,1-2H3
InChIKeyHPWIIEIRJWFRTO-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.97
Rot. Bonds1

About 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole

1-methyl-2-(1-methylimidazol-2-yl)benzimidazole (PubChem CID 71348433) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
PubChem CID71348433
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
SMILESCn1ccnc1-c1nc2ccccc2n1C
InChIInChI=1S/C12H12N4/c1-15-8-7-13-11(15)12-14-9-5-3-4-6-10(9)16(12)2/h3-8H,1-2H3
InChIKeyHPWIIEIRJWFRTO-UHFFFAOYSA-N
XLogP1.97
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole (CID 71348433) is 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole is Cn1ccnc1-c1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole?
The InChIKey is HPWIIEIRJWFRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-15-8-7-13-11(15)12-14-9-5-3-4-6-10(9)16(12)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole?
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole has a molecular weight of 212.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylimidazol-2-yl)benzimidazole is sourced from PubChem (CID 71348433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).