6-tert-butyl-1,4,5,7-tetramethylbenzimidazole

C15H22N2 — CID 159976896

IUPAC6-tert-butyl-1,4,5,7-tetramethylbenzimidazole
SMILESCc1c(C(C)(C)C)c(C)c2c(ncn2C)c1C
InChIInChI=1S/C15H22N2/c1-9-10(2)13-14(17(7)8-16-13)11(3)12(9)15(4,5)6/h8H,1-7H3
InChIKeyPQPBPJNXZLCXKI-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.80
Rot. Bonds

About 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole

6-tert-butyl-1,4,5,7-tetramethylbenzimidazole (PubChem CID 159976896) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole.

Molecular Properties

Compound Name6-tert-butyl-1,4,5,7-tetramethylbenzimidazole
PubChem CID159976896
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name6-tert-butyl-1,4,5,7-tetramethylbenzimidazole
SMILESCc1c(C(C)(C)C)c(C)c2c(ncn2C)c1C
InChIInChI=1S/C15H22N2/c1-9-10(2)13-14(17(7)8-16-13)11(3)12(9)15(4,5)6/h8H,1-7H3
InChIKeyPQPBPJNXZLCXKI-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole?
The IUPAC name of 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole (CID 159976896) is 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole.
What is the SMILES notation for 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole?
The canonical SMILES for 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole is Cc1c(C(C)(C)C)c(C)c2c(ncn2C)c1C.
What is the InChIKey of 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole?
The InChIKey is PQPBPJNXZLCXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-9-10(2)13-14(17(7)8-16-13)11(3)12(9)15(4,5)6/h8H,1-7H3.
What are the key properties of 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole?
6-tert-butyl-1,4,5,7-tetramethylbenzimidazole has a molecular weight of 230.35 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,4,5,7-tetramethylbenzimidazole is sourced from PubChem (CID 159976896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).