2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole

C14H18N2 — CID 107002122

IUPAC2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
SMILESCCc1ccc2nc(C3CC3(C)C)[nH]c2c1
InChIInChI=1S/C14H18N2/c1-4-9-5-6-11-12(7-9)16-13(15-11)10-8-14(10,2)3/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyNGCKUVHERPPFLW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.64
Rot. Bonds2

About 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole

2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole (PubChem CID 107002122) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
PubChem CID107002122
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
SMILESCCc1ccc2nc(C3CC3(C)C)[nH]c2c1
InChIInChI=1S/C14H18N2/c1-4-9-5-6-11-12(7-9)16-13(15-11)10-8-14(10,2)3/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyNGCKUVHERPPFLW-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole (CID 107002122) is 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole is CCc1ccc2nc(C3CC3(C)C)[nH]c2c1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole?
The InChIKey is NGCKUVHERPPFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-9-5-6-11-12(7-9)16-13(15-11)10-8-14(10,2)3/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole?
2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole is sourced from PubChem (CID 107002122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).