5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C17H17ClN4O3S — CID 110642503

IUPAC5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2[nH]1
InChIInChI=1S/C17H17ClN4O3S/c18-12-1-4-14(5-2-12)26(24,25)22-9-7-21(8-10-22)13-3-6-15-16(11-13)20-17(23)19-15/h1-6,11H,7-10H2,(H2,19,20,23)
InChIKeyAPBXDRCRCLBCQM-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.02
Rot. Bonds3

About 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110642503) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110642503
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2[nH]1
InChIInChI=1S/C17H17ClN4O3S/c18-12-1-4-14(5-2-12)26(24,25)22-9-7-21(8-10-22)13-3-6-15-16(11-13)20-17(23)19-15/h1-6,11H,7-10H2,(H2,19,20,23)
InChIKeyAPBXDRCRCLBCQM-UHFFFAOYSA-N
XLogP2.02
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 110642497
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642512
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642459
1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60915587
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 133432444
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361418

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 110642503) is 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2[nH]1.
What is the InChIKey of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is APBXDRCRCLBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-12-1-4-14(5-2-12)26(24,25)22-9-7-21(8-10-22)13-3-6-15-16(11-13)20-17(23)19-15/h1-6,11H,7-10H2,(H2,19,20,23).
What are the key properties of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 392.87 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110642503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).