2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole

C16H20N2 — CID 82947137

IUPAC2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(C3C4CCCCC43)[nH]c2c1
InChIInChI=1S/C16H20N2/c1-9-7-10(2)15-13(8-9)17-16(18-15)14-11-5-3-4-6-12(11)14/h7-8,11-12,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyWHZSCQZKIWCWLD-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.08
Rot. Bonds1

About 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole

2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82947137) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82947137
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(C3C4CCCCC43)[nH]c2c1
InChIInChI=1S/C16H20N2/c1-9-7-10(2)15-13(8-9)17-16(18-15)14-11-5-3-4-6-12(11)14/h7-8,11-12,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyWHZSCQZKIWCWLD-UHFFFAOYSA-N
XLogP4.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole (CID 82947137) is 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(C3C4CCCCC43)[nH]c2c1.
What is the InChIKey of 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is WHZSCQZKIWCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-7-10(2)15-13(8-9)17-16(18-15)14-11-5-3-4-6-12(11)14/h7-8,11-12,14H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole?
2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 240.35 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82947137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).