2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole

C12H15ClN2 — CID 58897196

IUPAC2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
SMILESCc1cc2[nH]c(C(C)(C)C)nc2cc1Cl
InChIInChI=1S/C12H15ClN2/c1-7-5-9-10(6-8(7)13)15-11(14-9)12(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyXEEXHLBBYKCDPY-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.82
Rot. Bonds

About 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole

2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole (PubChem CID 58897196) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
PubChem CID58897196
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
SMILESCc1cc2[nH]c(C(C)(C)C)nc2cc1Cl
InChIInChI=1S/C12H15ClN2/c1-7-5-9-10(6-8(7)13)15-11(14-9)12(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyXEEXHLBBYKCDPY-UHFFFAOYSA-N
XLogP3.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole?
The IUPAC name of 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole (CID 58897196) is 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole is Cc1cc2[nH]c(C(C)(C)C)nc2cc1Cl.
What is the InChIKey of 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole?
The InChIKey is XEEXHLBBYKCDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-5-9-10(6-8(7)13)15-11(14-9)12(2,3)4/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole?
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole is sourced from PubChem (CID 58897196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).