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

C13H18N4 — CID 114023099

IUPAC5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1Cc2nc(-c3cn(C)cn3)[nH]c2CC1C
InChIInChI=1S/C13H18N4/c1-8-4-10-11(5-9(8)2)16-13(15-10)12-6-17(3)7-14-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyAHGJRTMLTACSEU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.18
Rot. Bonds1

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

5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 114023099) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID114023099
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1Cc2nc(-c3cn(C)cn3)[nH]c2CC1C
InChIInChI=1S/C13H18N4/c1-8-4-10-11(5-9(8)2)16-13(15-10)12-6-17(3)7-14-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyAHGJRTMLTACSEU-UHFFFAOYSA-N
XLogP2.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 107972982
5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid
CID 131615798
1,5,6-trimethyl-4,5,6,7-tetrahydrobenzimidazole
CID 126996535
4-methyl-1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107971931
5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
CID 107972971
1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 107971927
2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
CID 82401919
5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 104623005
1,4-dimethylimidazole;4-methylmorpholine
CID 142017865
2-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine
CID 139829267
1,4-dimethylimidazole;hydrochloride
CID 146623882

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 114023099) is 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is CC1Cc2nc(-c3cn(C)cn3)[nH]c2CC1C.
What is the InChIKey of 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is AHGJRTMLTACSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8-4-10-11(5-9(8)2)16-13(15-10)12-6-17(3)7-14-12/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
5,6-dimethyl-2-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 2.18, 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-(1-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 114023099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).