4-chloro-6-(2-methylpropyl)-1H-benzimidazole

C11H13ClN2 — CID 154656324

IUPAC4-chloro-6-(2-methylpropyl)-1H-benzimidazole
SMILESCC(C)Cc1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C11H13ClN2/c1-7(2)3-8-4-9(12)11-10(5-8)13-6-14-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyCZTPBEHLFYWHRB-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.41
Rot. Bonds2

About 4-chloro-6-(2-methylpropyl)-1H-benzimidazole

4-chloro-6-(2-methylpropyl)-1H-benzimidazole (PubChem CID 154656324) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-6-(2-methylpropyl)-1H-benzimidazole
PubChem CID154656324
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name4-chloro-6-(2-methylpropyl)-1H-benzimidazole
SMILESCC(C)Cc1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C11H13ClN2/c1-7(2)3-8-4-9(12)11-10(5-8)13-6-14-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyCZTPBEHLFYWHRB-UHFFFAOYSA-N
XLogP3.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpropyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-6-(2-methylpropyl)-1H-benzimidazole (CID 154656324) is 4-chloro-6-(2-methylpropyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-6-(2-methylpropyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-6-(2-methylpropyl)-1H-benzimidazole is CC(C)Cc1cc(Cl)c2nc[nH]c2c1.
What is the InChIKey of 4-chloro-6-(2-methylpropyl)-1H-benzimidazole?
The InChIKey is CZTPBEHLFYWHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7(2)3-8-4-9(12)11-10(5-8)13-6-14-11/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-chloro-6-(2-methylpropyl)-1H-benzimidazole?
4-chloro-6-(2-methylpropyl)-1H-benzimidazole has a molecular weight of 208.69 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpropyl)-1H-benzimidazole is sourced from PubChem (CID 154656324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).