[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C17H19N5O3S — CID 110805478

IUPAC[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1cnc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)ccc21
InChIInChI=1S/C17H19N5O3S/c1-20-12-19-15-11-13(4-5-16(15)20)26(24,25)22-9-7-21(8-10-22)17(23)14-3-2-6-18-14/h2-6,11-12,18H,7-10H2,1H3
InChIKeyWMDAUOZCZBIGIU-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.05
Rot. Bonds3

About [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 110805478) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID110805478
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1cnc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)ccc21
InChIInChI=1S/C17H19N5O3S/c1-20-12-19-15-11-13(4-5-16(15)20)26(24,25)22-9-7-21(8-10-22)17(23)14-3-2-6-18-14/h2-6,11-12,18H,7-10H2,1H3
InChIKeyWMDAUOZCZBIGIU-UHFFFAOYSA-N
XLogP1.05
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-methylbenzimidazol-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796418
methyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818613
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
2-methyl-1-[4-(1-methylbenzimidazol-5-yl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796978
ethyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818643
5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110805342
2-(1-methylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110760272
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805349
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 110805478) is [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is Cn1cnc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)ccc21.
What is the InChIKey of [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is WMDAUOZCZBIGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-20-12-19-15-11-13(4-5-16(15)20)26(24,25)22-9-7-21(8-10-22)17(23)14-3-2-6-18-14/h2-6,11-12,18H,7-10H2,1H3.
What are the key properties of [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 373.44 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 110805478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).