1-tert-butyl-6-chloro-2-methylbenzimidazole

C12H15ClN2 — CID 20728140

IUPAC1-tert-butyl-6-chloro-2-methylbenzimidazole
SMILESCc1nc2ccc(Cl)cc2n1C(C)(C)C
InChIInChI=1S/C12H15ClN2/c1-8-14-10-6-5-9(13)7-11(10)15(8)12(2,3)4/h5-7H,1-4H3
InChIKeyUKXFUIUWHVKNEU-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.75
Rot. Bonds

About 1-tert-butyl-6-chloro-2-methylbenzimidazole

1-tert-butyl-6-chloro-2-methylbenzimidazole (PubChem CID 20728140) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-tert-butyl-6-chloro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-tert-butyl-6-chloro-2-methylbenzimidazole
PubChem CID20728140
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-tert-butyl-6-chloro-2-methylbenzimidazole
SMILESCc1nc2ccc(Cl)cc2n1C(C)(C)C
InChIInChI=1S/C12H15ClN2/c1-8-14-10-6-5-9(13)7-11(10)15(8)12(2,3)4/h5-7H,1-4H3
InChIKeyUKXFUIUWHVKNEU-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-chloro-2-methylbenzimidazole?
The IUPAC name of 1-tert-butyl-6-chloro-2-methylbenzimidazole (CID 20728140) is 1-tert-butyl-6-chloro-2-methylbenzimidazole.
What is the SMILES notation for 1-tert-butyl-6-chloro-2-methylbenzimidazole?
The canonical SMILES for 1-tert-butyl-6-chloro-2-methylbenzimidazole is Cc1nc2ccc(Cl)cc2n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-chloro-2-methylbenzimidazole?
The InChIKey is UKXFUIUWHVKNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-14-10-6-5-9(13)7-11(10)15(8)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-tert-butyl-6-chloro-2-methylbenzimidazole?
1-tert-butyl-6-chloro-2-methylbenzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-chloro-2-methylbenzimidazole is sourced from PubChem (CID 20728140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).