4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole

C14H17BrN2 — CID 114271481

IUPAC4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole
SMILESCCC1(c2nc3c(Br)cccc3[nH]2)CCCC1
InChIInChI=1S/C14H17BrN2/c1-2-14(8-3-4-9-14)13-16-11-7-5-6-10(15)12(11)17-13/h5-7H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyLHNYZRQZKXQPPE-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.55
Rot. Bonds2

About 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole

4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole (PubChem CID 114271481) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole
PubChem CID114271481
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole
SMILESCCC1(c2nc3c(Br)cccc3[nH]2)CCCC1
InChIInChI=1S/C14H17BrN2/c1-2-14(8-3-4-9-14)13-16-11-7-5-6-10(15)12(11)17-13/h5-7H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyLHNYZRQZKXQPPE-UHFFFAOYSA-N
XLogP4.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole (CID 114271481) is 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole is CCC1(c2nc3c(Br)cccc3[nH]2)CCCC1.
What is the InChIKey of 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole?
The InChIKey is LHNYZRQZKXQPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-2-14(8-3-4-9-14)13-16-11-7-5-6-10(15)12(11)17-13/h5-7H,2-4,8-9H2,1H3,(H,16,17).
What are the key properties of 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole?
4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole has a molecular weight of 293.21 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole is sourced from PubChem (CID 114271481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).