6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole

C18H19ClN4O2S — CID 110643459

IUPAC6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc2[nH]1
InChIInChI=1S/C18H19ClN4O2S/c1-13-20-17-6-5-15(12-18(17)21-13)22-7-9-23(10-8-22)26(24,25)16-4-2-3-14(19)11-16/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyVYFPHYYGKQAFBR-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.04
Rot. Bonds3

About 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole

6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole (PubChem CID 110643459) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
PubChem CID110643459
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc2[nH]1
InChIInChI=1S/C18H19ClN4O2S/c1-13-20-17-6-5-15(12-18(17)21-13)22-7-9-23(10-8-22)26(24,25)16-4-2-3-14(19)11-16/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyVYFPHYYGKQAFBR-UHFFFAOYSA-N
XLogP3.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-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

2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
2-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 110643464
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361418
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 44894672

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole?
The IUPAC name of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole (CID 110643459) is 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole is Cc1nc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc2[nH]1.
What is the InChIKey of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole?
The InChIKey is VYFPHYYGKQAFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-13-20-17-6-5-15(12-18(17)21-13)22-7-9-23(10-8-22)26(24,25)16-4-2-3-14(19)11-16/h2-6,11-12H,7-10H2,1H3,(H,20,21).
What are the key properties of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole?
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole has a molecular weight of 390.90 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole is sourced from PubChem (CID 110643459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).