1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one

C14H18N2OS — CID 79754011

IUPAC1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
SMILESCC(C)SCC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H18N2OS/c1-10(2)18-9-11(17)8-14-15-12-6-4-5-7-13(12)16(14)3/h4-7,10H,8-9H2,1-3H3
InChIKeyKXDLCWBYBPAKPS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.83
Rot. Bonds5

About 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one

1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one (PubChem CID 79754011) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
PubChem CID79754011
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
SMILESCC(C)SCC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H18N2OS/c1-10(2)18-9-11(17)8-14-15-12-6-4-5-7-13(12)16(14)3/h4-7,10H,8-9H2,1-3H3
InChIKeyKXDLCWBYBPAKPS-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one
CID 116574212

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one (CID 79754011) is 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one is CC(C)SCC(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
The InChIKey is KXDLCWBYBPAKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)18-9-11(17)8-14-15-12-6-4-5-7-13(12)16(14)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one has a molecular weight of 262.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one is sourced from PubChem (CID 79754011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).