2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole

C18H19ClN4O2S — CID 1462197

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
SMILESCn1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C18H19ClN4O2S/c1-21-17-5-3-2-4-16(17)20-18(21)22-10-12-23(13-11-22)26(24,25)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKeyRVBRVWQZEPNZDF-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.74
Rot. Bonds3

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole (PubChem CID 1462197) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
PubChem CID1462197
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
SMILESCn1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C18H19ClN4O2S/c1-21-17-5-3-2-4-16(17)20-18(21)22-10-12-23(13-11-22)26(24,25)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKeyRVBRVWQZEPNZDF-UHFFFAOYSA-N
XLogP2.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole (CID 1462197) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole is Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc21.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole?
The InChIKey is RVBRVWQZEPNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-21-17-5-3-2-4-16(17)20-18(21)22-10-12-23(13-11-22)26(24,25)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole has a molecular weight of 390.90 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole is sourced from PubChem (CID 1462197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).