3-(2-tert-butylbenzimidazol-1-yl)butan-2-one

C15H20N2O — CID 17000493

IUPAC3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
SMILESCC(=O)C(C)n1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-10(11(2)18)17-13-9-7-6-8-12(13)16-14(17)15(3,4)5/h6-10H,1-5H3
InChIKeyMAMUZKSPSIQKFW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.48
Rot. Bonds2

About 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one

3-(2-tert-butylbenzimidazol-1-yl)butan-2-one (PubChem CID 17000493) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one.

Molecular Properties

Compound Name3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
PubChem CID17000493
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
SMILESCC(=O)C(C)n1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-10(11(2)18)17-13-9-7-6-8-12(13)16-14(17)15(3,4)5/h6-10H,1-5H3
InChIKeyMAMUZKSPSIQKFW-UHFFFAOYSA-N
XLogP3.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
CID 17000250
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
CID 16999333
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
4-bromo-N-[1-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
CID 17009461
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
CID 62493100
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
CID 17009138
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973977
2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
CID 1485409

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one?
The IUPAC name of 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one (CID 17000493) is 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one.
What is the SMILES notation for 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one?
The canonical SMILES for 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one is CC(=O)C(C)n1c(C(C)(C)C)nc2ccccc21.
What is the InChIKey of 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one?
The InChIKey is MAMUZKSPSIQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(11(2)18)17-13-9-7-6-8-12(13)16-14(17)15(3,4)5/h6-10H,1-5H3.
What are the key properties of 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one?
3-(2-tert-butylbenzimidazol-1-yl)butan-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylbenzimidazol-1-yl)butan-2-one is sourced from PubChem (CID 17000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).