6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole

C17H18N6 — CID 138810153

IUPAC6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole
SMILESCc1c(-n2ccnc2-c2cnc(C)n2C)cc2[nH]cnc2c1C
InChIInChI=1S/C17H18N6/c1-10-11(2)16-13(20-9-21-16)7-14(10)23-6-5-18-17(23)15-8-19-12(3)22(15)4/h5-9H,1-4H3,(H,20,21)
InChIKeySHYTXNCEMBTXMO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.07
Rot. Bonds2

About 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole

6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole (PubChem CID 138810153) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole
PubChem CID138810153
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole
SMILESCc1c(-n2ccnc2-c2cnc(C)n2C)cc2[nH]cnc2c1C
InChIInChI=1S/C17H18N6/c1-10-11(2)16-13(20-9-21-16)7-14(10)23-6-5-18-17(23)15-8-19-12(3)22(15)4/h5-9H,1-4H3,(H,20,21)
InChIKeySHYTXNCEMBTXMO-UHFFFAOYSA-N
XLogP3.07
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole
CID 139598949
6-(2-cyclohex-3-en-1-ylimidazol-1-yl)-4,5-dimethyl-1H-benzimidazole;formic acid
CID 154921771
4,6-dimethyl-1H-benzimidazol-5-amine
CID 18400127
4-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-3,5-dimethyl-1-propylpyrazole;formic acid
CID 171321587
CID 58719682
CID 58719682
1-[5-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-1-methylbenzimidazol-2-yl]ethanol;formic acid
CID 154921856
5-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 63811500
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
3-(2,3-dimethylimidazol-4-yl)pyridine
CID 44549702
5-(2,3-dimethylimidazol-4-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039406
3-[(6,7-dimethyl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168593521
3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one
CID 14751653

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole?
The IUPAC name of 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole (CID 138810153) is 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole.
What is the SMILES notation for 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole?
The canonical SMILES for 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole is Cc1c(-n2ccnc2-c2cnc(C)n2C)cc2[nH]cnc2c1C.
What is the InChIKey of 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole?
The InChIKey is SHYTXNCEMBTXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-10-11(2)16-13(20-9-21-16)7-14(10)23-6-5-18-17(23)15-8-19-12(3)22(15)4/h5-9H,1-4H3,(H,20,21).
What are the key properties of 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole?
6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole has a molecular weight of 306.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole is sourced from PubChem (CID 138810153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).