6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

C12H16N4 — CID 103512420

IUPAC6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1CCc2nc(-c3cncn3C)[nH]c2C1
InChIInChI=1S/C12H16N4/c1-8-3-4-9-10(5-8)15-12(14-9)11-6-13-7-16(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyRRQJPVLOFSVHHX-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.93
Rot. Bonds1

About 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 103512420) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID103512420
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1CCc2nc(-c3cncn3C)[nH]c2C1
InChIInChI=1S/C12H16N4/c1-8-3-4-9-10(5-8)15-12(14-9)11-6-13-7-16(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyRRQJPVLOFSVHHX-UHFFFAOYSA-N
XLogP1.93
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 103512416
2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
CID 103512426
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione
CID 106476625
2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511219
N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 63927403
2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 82995898
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
2-(2,2-dimethylcyclopentyl)-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186427
5-cyclopropyl-4-(3-methylimidazol-4-yl)-1H-pyrazole
CID 169229238
6-methyl-2-(3-methylimidazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477876
2-(3-methylimidazol-4-yl)-1H-imidazole-5-carbaldehyde
CID 82901948

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 103512420) is 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is CC1CCc2nc(-c3cncn3C)[nH]c2C1.
What is the InChIKey of 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is RRQJPVLOFSVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-3-4-9-10(5-8)15-12(14-9)11-6-13-7-16(11)2/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 216.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 103512420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).