5-chloro-2-methyl-1-propylbenzimidazole

C11H13ClN2 — CID 46310722

IUPAC5-chloro-2-methyl-1-propylbenzimidazole
SMILESCCCn1c(C)nc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2/c1-3-6-14-8(2)13-10-7-9(12)4-5-11(10)14/h4-5,7H,3,6H2,1-2H3
InChIKeyJYICYMJOFMGRCE-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.41
Rot. Bonds2

About 5-chloro-2-methyl-1-propylbenzimidazole

5-chloro-2-methyl-1-propylbenzimidazole (PubChem CID 46310722) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-propylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-methyl-1-propylbenzimidazole
PubChem CID46310722
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-2-methyl-1-propylbenzimidazole
SMILESCCCn1c(C)nc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2/c1-3-6-14-8(2)13-10-7-9(12)4-5-11(10)14/h4-5,7H,3,6H2,1-2H3
InChIKeyJYICYMJOFMGRCE-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-propylbenzimidazole?
The IUPAC name of 5-chloro-2-methyl-1-propylbenzimidazole (CID 46310722) is 5-chloro-2-methyl-1-propylbenzimidazole.
What is the SMILES notation for 5-chloro-2-methyl-1-propylbenzimidazole?
The canonical SMILES for 5-chloro-2-methyl-1-propylbenzimidazole is CCCn1c(C)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-methyl-1-propylbenzimidazole?
The InChIKey is JYICYMJOFMGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-6-14-8(2)13-10-7-9(12)4-5-11(10)14/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-1-propylbenzimidazole?
5-chloro-2-methyl-1-propylbenzimidazole has a molecular weight of 208.69 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-propylbenzimidazole is sourced from PubChem (CID 46310722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).