6-chloro-2-methyl-4-propyl-1H-benzimidazole

C11H13ClN2 — CID 173254134

IUPAC6-chloro-2-methyl-4-propyl-1H-benzimidazole
SMILESCCCc1cc(Cl)cc2[nH]c(C)nc12
InChIInChI=1S/C11H13ClN2/c1-3-4-8-5-9(12)6-10-11(8)14-7(2)13-10/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyLKHXKSSFGORLKV-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.48
Rot. Bonds2

About 6-chloro-2-methyl-4-propyl-1H-benzimidazole

6-chloro-2-methyl-4-propyl-1H-benzimidazole (PubChem CID 173254134) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-propyl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-methyl-4-propyl-1H-benzimidazole
PubChem CID173254134
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name6-chloro-2-methyl-4-propyl-1H-benzimidazole
SMILESCCCc1cc(Cl)cc2[nH]c(C)nc12
InChIInChI=1S/C11H13ClN2/c1-3-4-8-5-9(12)6-10-11(8)14-7(2)13-10/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyLKHXKSSFGORLKV-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-propyl-1H-benzimidazole?
The IUPAC name of 6-chloro-2-methyl-4-propyl-1H-benzimidazole (CID 173254134) is 6-chloro-2-methyl-4-propyl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-methyl-4-propyl-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-methyl-4-propyl-1H-benzimidazole is CCCc1cc(Cl)cc2[nH]c(C)nc12.
What is the InChIKey of 6-chloro-2-methyl-4-propyl-1H-benzimidazole?
The InChIKey is LKHXKSSFGORLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-4-8-5-9(12)6-10-11(8)14-7(2)13-10/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-2-methyl-4-propyl-1H-benzimidazole?
6-chloro-2-methyl-4-propyl-1H-benzimidazole has a molecular weight of 208.69 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-propyl-1H-benzimidazole is sourced from PubChem (CID 173254134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).