2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole

C15H22N2 — CID 83450237

IUPAC2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
SMILESCC(C)c1ccc2c(c1)nc(C(C)(C)C)n2C
InChIInChI=1S/C15H22N2/c1-10(2)11-7-8-13-12(9-11)16-14(17(13)6)15(3,4)5/h7-10H,1-6H3
InChIKeyQGJBNEJJKVWTBO-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.99
Rot. Bonds1

About 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole

2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole (PubChem CID 83450237) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
PubChem CID83450237
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
SMILESCC(C)c1ccc2c(c1)nc(C(C)(C)C)n2C
InChIInChI=1S/C15H22N2/c1-10(2)11-7-8-13-12(9-11)16-14(17(13)6)15(3,4)5/h7-10H,1-6H3
InChIKeyQGJBNEJJKVWTBO-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole?
The IUPAC name of 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole (CID 83450237) is 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole is CC(C)c1ccc2c(c1)nc(C(C)(C)C)n2C.
What is the InChIKey of 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole?
The InChIKey is QGJBNEJJKVWTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)11-7-8-13-12(9-11)16-14(17(13)6)15(3,4)5/h7-10H,1-6H3.
What are the key properties of 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole?
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole has a molecular weight of 230.35 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 83450237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).