2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole

C15H22N2 — CID 138741311

IUPAC2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole
SMILESCc1cc(C(C)C)cc2c1nc(C)n2C(C)C
InChIInChI=1S/C15H22N2/c1-9(2)13-7-11(5)15-14(8-13)17(10(3)4)12(6)16-15/h7-10H,1-6H3
InChIKeyIKVHEASPLWWSNC-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds2

About 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole

2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole (PubChem CID 138741311) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole.

Molecular Properties

Compound Name2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole
PubChem CID138741311
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole
SMILESCc1cc(C(C)C)cc2c1nc(C)n2C(C)C
InChIInChI=1S/C15H22N2/c1-9(2)13-7-11(5)15-14(8-13)17(10(3)4)12(6)16-15/h7-10H,1-6H3
InChIKeyIKVHEASPLWWSNC-UHFFFAOYSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole?
The IUPAC name of 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole (CID 138741311) is 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole.
What is the SMILES notation for 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole?
The canonical SMILES for 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole is Cc1cc(C(C)C)cc2c1nc(C)n2C(C)C.
What is the InChIKey of 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole?
The InChIKey is IKVHEASPLWWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-9(2)13-7-11(5)15-14(8-13)17(10(3)4)12(6)16-15/h7-10H,1-6H3.
What are the key properties of 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole?
2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole has a molecular weight of 230.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,6-di(propan-2-yl)benzimidazole is sourced from PubChem (CID 138741311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).