6-chloro-2-methyl-1-prop-2-enylbenzimidazole

C11H11ClN2 — CID 134086168

IUPAC6-chloro-2-methyl-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C)nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2/c1-3-6-14-8(2)13-10-5-4-9(12)7-11(10)14/h3-5,7H,1,6H2,2H3
InChIKeySNPIYHWBTSZGNG-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.18
Rot. Bonds2

About 6-chloro-2-methyl-1-prop-2-enylbenzimidazole

6-chloro-2-methyl-1-prop-2-enylbenzimidazole (PubChem CID 134086168) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-methyl-1-prop-2-enylbenzimidazole
PubChem CID134086168
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-2-methyl-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C)nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2/c1-3-6-14-8(2)13-10-5-4-9(12)7-11(10)14/h3-5,7H,1,6H2,2H3
InChIKeySNPIYHWBTSZGNG-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1-prop-2-enylbenzimidazole?
The IUPAC name of 6-chloro-2-methyl-1-prop-2-enylbenzimidazole (CID 134086168) is 6-chloro-2-methyl-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 6-chloro-2-methyl-1-prop-2-enylbenzimidazole?
The canonical SMILES for 6-chloro-2-methyl-1-prop-2-enylbenzimidazole is C=CCn1c(C)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-methyl-1-prop-2-enylbenzimidazole?
The InChIKey is SNPIYHWBTSZGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-3-6-14-8(2)13-10-5-4-9(12)7-11(10)14/h3-5,7H,1,6H2,2H3.
What are the key properties of 6-chloro-2-methyl-1-prop-2-enylbenzimidazole?
6-chloro-2-methyl-1-prop-2-enylbenzimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 134086168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).