1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole

C16H18N4O2S — CID 18375523

IUPAC1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole
SMILESCCCc1cc(-n2cnc3ccccc32)nc(S(=O)(=O)CC)n1
InChIInChI=1S/C16H18N4O2S/c1-3-7-12-10-15(19-16(18-12)23(21,22)4-2)20-11-17-13-8-5-6-9-14(13)20/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyXOLBCFPMRSOCST-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole

1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole (PubChem CID 18375523) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole
PubChem CID18375523
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole
SMILESCCCc1cc(-n2cnc3ccccc32)nc(S(=O)(=O)CC)n1
InChIInChI=1S/C16H18N4O2S/c1-3-7-12-10-15(19-16(18-12)23(21,22)4-2)20-11-17-13-8-5-6-9-14(13)20/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyXOLBCFPMRSOCST-UHFFFAOYSA-N
XLogP2.56
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole 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

1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
CID 15549640
1-[(6-propyl-2-pyridinyl)methyl]benzimidazole
CID 166263430
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
1-(4-propylphenyl)sulfonylbenzimidazole
CID 22200833
1-(2-ethylphenyl)benzimidazole
CID 22078308
1-(2,6-dichloropyrimidin-4-yl)benzimidazole
CID 10539590
6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80853526
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80966582
1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246
1-(4-ethoxyphenyl)benzimidazole
CID 175001446

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole?
The IUPAC name of 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole (CID 18375523) is 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole?
The canonical SMILES for 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole is CCCc1cc(-n2cnc3ccccc32)nc(S(=O)(=O)CC)n1.
What is the InChIKey of 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole?
The InChIKey is XOLBCFPMRSOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-7-12-10-15(19-16(18-12)23(21,22)4-2)20-11-17-13-8-5-6-9-14(13)20/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole?
1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole has a molecular weight of 330.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonyl-6-propylpyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 18375523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).