2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole

C16H22N2 — CID 82947488

IUPAC2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole
SMILESCCC1(c2nc3c(C)cc(C)cc3[nH]2)CCCC1
InChIInChI=1S/C16H22N2/c1-4-16(7-5-6-8-16)15-17-13-10-11(2)9-12(3)14(13)18-15/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyIIDGEXGNWQBORD-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.40
Rot. Bonds2

About 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole

2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82947488) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82947488
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole
SMILESCCC1(c2nc3c(C)cc(C)cc3[nH]2)CCCC1
InChIInChI=1S/C16H22N2/c1-4-16(7-5-6-8-16)15-17-13-10-11(2)9-12(3)14(13)18-15/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyIIDGEXGNWQBORD-UHFFFAOYSA-N
XLogP4.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole (CID 82947488) is 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole is CCC1(c2nc3c(C)cc(C)cc3[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is IIDGEXGNWQBORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-16(7-5-6-8-16)15-17-13-10-11(2)9-12(3)14(13)18-15/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole?
2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 242.37 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82947488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).