2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole

C15H20N2 — CID 71018247

IUPAC2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC2N=C(C3=CCCCC3)N(C)C2C=C1
InChIInChI=1S/C15H20N2/c1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h6,8-10,13-14H,3-5,7H2,1-2H3
InChIKeyWZGYAIMEDNKBAF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds1

About 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole

2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole (PubChem CID 71018247) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole
PubChem CID71018247
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC2N=C(C3=CCCCC3)N(C)C2C=C1
InChIInChI=1S/C15H20N2/c1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h6,8-10,13-14H,3-5,7H2,1-2H3
InChIKeyWZGYAIMEDNKBAF-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole (CID 71018247) is 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole is CC1=CC2N=C(C3=CCCCC3)N(C)C2C=C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole?
The InChIKey is WZGYAIMEDNKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h6,8-10,13-14H,3-5,7H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole?
2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 71018247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).