5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one

C18H20N4O3S — CID 53092061

IUPAC5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N4O3S/c1-13-11-15-16(20-18(23)19-15)12-17(13)26(24,25)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H2,19,20,23)
InChIKeyVVWLOALJVBCPQP-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.68
Rot. Bonds3

About 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one

5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 53092061) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID53092061
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N4O3S/c1-13-11-15-16(20-18(23)19-15)12-17(13)26(24,25)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H2,19,20,23)
InChIKeyVVWLOALJVBCPQP-UHFFFAOYSA-N
XLogP1.68
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 53092061) is 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one is Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VVWLOALJVBCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-11-15-16(20-18(23)19-15)12-17(13)26(24,25)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H2,19,20,23).
What are the key properties of 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 372.45 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 53092061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).