3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide

C15H19N3S — CID 82150320

IUPAC3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide
SMILESCC(Cn1c(C2CCC2)nc2ccccc21)C(N)=S
InChIInChI=1S/C15H19N3S/c1-10(14(16)19)9-18-13-8-3-2-7-12(13)17-15(18)11-5-4-6-11/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,16,19)
InChIKeyAOEPRZNRHMJRNR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.23
Rot. Bonds4

About 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide

3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide (PubChem CID 82150320) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide
PubChem CID82150320
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide
SMILESCC(Cn1c(C2CCC2)nc2ccccc21)C(N)=S
InChIInChI=1S/C15H19N3S/c1-10(14(16)19)9-18-13-8-3-2-7-12(13)17-15(18)11-5-4-6-11/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,16,19)
InChIKeyAOEPRZNRHMJRNR-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[2-(phenoxymethyl)benzimidazol-1-yl]propanethioamide
CID 82150314
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
CID 145335496
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148095
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
CID 18878714
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747736

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide (CID 82150320) is 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide is CC(Cn1c(C2CCC2)nc2ccccc21)C(N)=S.
What is the InChIKey of 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide?
The InChIKey is AOEPRZNRHMJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(14(16)19)9-18-13-8-3-2-7-12(13)17-15(18)11-5-4-6-11/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,16,19).
What are the key properties of 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide?
3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide has a molecular weight of 273.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylbenzimidazol-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 82150320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).