(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole

C15H22N2 — CID 71018223

IUPAC(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole
SMILESCN1C(C2=CCCCC2)=N[C@]2(C)C=CCCC12
InChIInChI=1S/C15H22N2/c1-15-11-7-6-10-13(15)17(2)14(16-15)12-8-4-3-5-9-12/h7-8,11,13H,3-6,9-10H2,1-2H3/t13?,15-/m1/s1
InChIKeyCNCLJSMOGPHIQV-AWKYBWMHSA-N
MW230.35 g/mol
LogP3.31
Rot. Bonds1

About (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole

(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole (PubChem CID 71018223) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole.

Molecular Properties

Compound Name(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole
PubChem CID71018223
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole
SMILESCN1C(C2=CCCCC2)=N[C@]2(C)C=CCCC12
InChIInChI=1S/C15H22N2/c1-15-11-7-6-10-13(15)17(2)14(16-15)12-8-4-3-5-9-12/h7-8,11,13H,3-6,9-10H2,1-2H3/t13?,15-/m1/s1
InChIKeyCNCLJSMOGPHIQV-AWKYBWMHSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole?
The IUPAC name of (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole (CID 71018223) is (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole.
What is the SMILES notation for (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole?
The canonical SMILES for (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole is CN1C(C2=CCCCC2)=N[C@]2(C)C=CCCC12.
What is the InChIKey of (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole?
The InChIKey is CNCLJSMOGPHIQV-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H22N2/c1-15-11-7-6-10-13(15)17(2)14(16-15)12-8-4-3-5-9-12/h7-8,11,13H,3-6,9-10H2,1-2H3/t13?,15-/m1/s1.
What are the key properties of (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole?
(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole has a molecular weight of 230.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole is sourced from PubChem (CID 71018223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).