N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide

C15H21N3O2S — CID 28588137

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide
SMILESCCC(=O)Nc1cc2c(cc1SC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C15H21N3O2S/c1-6-14(19)16-10-7-11-12(8-13(10)21-9(2)3)18(5)15(20)17(11)4/h7-9H,6H2,1-5H3,(H,16,19)
InChIKeyVMFLOHIWQJWNEP-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.73
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide

N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide (PubChem CID 28588137) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide
PubChem CID28588137
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide
SMILESCCC(=O)Nc1cc2c(cc1SC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C15H21N3O2S/c1-6-14(19)16-10-7-11-12(8-13(10)21-9(2)3)18(5)15(20)17(11)4/h7-9H,6H2,1-5H3,(H,16,19)
InChIKeyVMFLOHIWQJWNEP-UHFFFAOYSA-N
XLogP2.73
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-2-(3-fluorophenyl)acetamide
CID 50744208
1-[(2S)-butan-2-yl]-3-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 95050232
N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide
CID 35397625
2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 35397747
N-(6-butylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 35397680
N-(2-propan-2-ylphenyl)propanamide
CID 723442
ethyl 2-[2,4-difluoro-5-(propanoylamino)phenyl]sulfanylpropanoate
CID 139689608
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50773255
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
CID 50824182
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide (CID 28588137) is N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide is CCC(=O)Nc1cc2c(cc1SC(C)C)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide?
The InChIKey is VMFLOHIWQJWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-14(19)16-10-7-11-12(8-13(10)21-9(2)3)18(5)15(20)17(11)4/h7-9H,6H2,1-5H3,(H,16,19).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 28588137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).