2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole

C20H24N2 — CID 70856818

IUPAC2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole
SMILESCC1CC=CC2=C1NC(C1=CC=CCC1)N2C1=CC=CCC1
InChIInChI=1S/C20H24N2/c1-15-9-8-14-18-19(15)21-20(16-10-4-2-5-11-16)22(18)17-12-6-3-7-13-17/h2-4,6,8,10,12,14-15,20-21H,5,7,9,11,13H2,1H3
InChIKeyVNRPPTDCVIDFEY-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.54
Rot. Bonds2

About 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole

2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole (PubChem CID 70856818) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole
PubChem CID70856818
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole
SMILESCC1CC=CC2=C1NC(C1=CC=CCC1)N2C1=CC=CCC1
InChIInChI=1S/C20H24N2/c1-15-9-8-14-18-19(15)21-20(16-10-4-2-5-11-16)22(18)17-12-6-3-7-13-17/h2-4,6,8,10,12,14-15,20-21H,5,7,9,11,13H2,1H3
InChIKeyVNRPPTDCVIDFEY-UHFFFAOYSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole (CID 70856818) is 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole is CC1CC=CC2=C1NC(C1=CC=CCC1)N2C1=CC=CCC1.
What is the InChIKey of 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole?
The InChIKey is VNRPPTDCVIDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-15-9-8-14-18-19(15)21-20(16-10-4-2-5-11-16)22(18)17-12-6-3-7-13-17/h2-4,6,8,10,12,14-15,20-21H,5,7,9,11,13H2,1H3.
What are the key properties of 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole?
2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole has a molecular weight of 292.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 70856818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).