5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole

C15H22N2 — CID 176701943

IUPAC5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole
SMILESCCC(C)(C)c1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C15H22N2/c1-6-15(4,5)12-7-8-14-13(9-12)16-10-17(14)11(2)3/h7-11H,6H2,1-5H3
InChIKeyGHQZIBZNENPOBS-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.30
Rot. Bonds3

About 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole

5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole (PubChem CID 176701943) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole
PubChem CID176701943
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole
SMILESCCC(C)(C)c1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C15H22N2/c1-6-15(4,5)12-7-8-14-13(9-12)16-10-17(14)11(2)3/h7-11H,6H2,1-5H3
InChIKeyGHQZIBZNENPOBS-UHFFFAOYSA-N
XLogP4.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol
CID 117336833
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
N-[(2-chlorophenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine
CID 22427236
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
CID 6459986
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole (CID 176701943) is 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole is CCC(C)(C)c1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole?
The InChIKey is GHQZIBZNENPOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-15(4,5)12-7-8-14-13(9-12)16-10-17(14)11(2)3/h7-11H,6H2,1-5H3.
What are the key properties of 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole?
5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole has a molecular weight of 230.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 176701943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).