2-cycloheptyl-4,6-dimethyl-1H-benzimidazole

C16H22N2 — CID 82946449

IUPAC2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(C3CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H22N2/c1-11-9-12(2)15-14(10-11)17-16(18-15)13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyBHQAOVYLXZFXHU-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.62
Rot. Bonds1

About 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole

2-cycloheptyl-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946449) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
PubChem CID82946449
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(C3CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H22N2/c1-11-9-12(2)15-14(10-11)17-16(18-15)13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyBHQAOVYLXZFXHU-UHFFFAOYSA-N
XLogP4.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole (CID 82946449) is 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(C3CCCCCC3)[nH]c2c1.
What is the InChIKey of 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole?
The InChIKey is BHQAOVYLXZFXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-9-12(2)15-14(10-11)17-16(18-15)13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole?
2-cycloheptyl-4,6-dimethyl-1H-benzimidazole has a molecular weight of 242.37 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).