6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole

C16H18N4 — CID 59861037

IUPAC6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole
SMILESCc1ccc(C2Nc3cc4c(cc3N2)NC(C)N4)cc1
InChIInChI=1S/C16H18N4/c1-9-3-5-11(6-4-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12/h3-8,10,16-20H,1-2H3
InChIKeyCPTVXNSGNIJZLS-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.71
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole

6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole (PubChem CID 59861037) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole
PubChem CID59861037
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole
SMILESCc1ccc(C2Nc3cc4c(cc3N2)NC(C)N4)cc1
InChIInChI=1S/C16H18N4/c1-9-3-5-11(6-4-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12/h3-8,10,16-20H,1-2H3
InChIKeyCPTVXNSGNIJZLS-UHFFFAOYSA-N
XLogP3.71
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole (CID 59861037) is 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole is Cc1ccc(C2Nc3cc4c(cc3N2)NC(C)N4)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole?
The InChIKey is CPTVXNSGNIJZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-9-3-5-11(6-4-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12/h3-8,10,16-20H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole?
6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole has a molecular weight of 266.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 59861037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).