4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole

C14H17ClN2 — CID 107180154

IUPAC4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
SMILESCC1(C)CCCC1c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C14H17ClN2/c1-14(2)8-4-5-9(14)13-16-11-7-3-6-10(15)12(11)17-13/h3,6-7,9H,4-5,8H2,1-2H3,(H,16,17)
InChIKeyFQSOHVRHKYJWJP-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.51
Rot. Bonds1

About 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole

4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole (PubChem CID 107180154) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
PubChem CID107180154
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
SMILESCC1(C)CCCC1c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C14H17ClN2/c1-14(2)8-4-5-9(14)13-16-11-7-3-6-10(15)12(11)17-13/h3,6-7,9H,4-5,8H2,1-2H3,(H,16,17)
InChIKeyFQSOHVRHKYJWJP-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole (CID 107180154) is 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole is CC1(C)CCCC1c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole?
The InChIKey is FQSOHVRHKYJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-14(2)8-4-5-9(14)13-16-11-7-3-6-10(15)12(11)17-13/h3,6-7,9H,4-5,8H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole?
4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole has a molecular weight of 248.76 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole is sourced from PubChem (CID 107180154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).