2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole

C15H18N2 — CID 130242137

IUPAC2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole
SMILESCC1C=c2nc(C3=CCCC=C3)n(C)c2=CC1
InChIInChI=1S/C15H18N2/c1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h4,6-7,9-11H,3,5,8H2,1-2H3
InChIKeyXVHAUEOZLGVRST-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole

2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole (PubChem CID 130242137) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole
PubChem CID130242137
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole
SMILESCC1C=c2nc(C3=CCCC=C3)n(C)c2=CC1
InChIInChI=1S/C15H18N2/c1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h4,6-7,9-11H,3,5,8H2,1-2H3
InChIKeyXVHAUEOZLGVRST-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole (CID 130242137) is 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole is CC1C=c2nc(C3=CCCC=C3)n(C)c2=CC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole?
The InChIKey is XVHAUEOZLGVRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h4,6-7,9-11H,3,5,8H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole?
2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole has a molecular weight of 226.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 130242137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).