1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole

C18H20N4O3S — CID 156596830

IUPAC1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole
SMILESCc1nc2c(N3CCN(O)CC3)cccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N4O3S/c1-14-19-18-16(20-10-12-21(23)13-11-20)8-5-9-17(18)22(14)26(24,25)15-6-3-2-4-7-15/h2-9,23H,10-13H2,1H3
InChIKeyPGJAKQPJMVDVEA-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.09
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole

1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole (PubChem CID 156596830) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole
PubChem CID156596830
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole
SMILESCc1nc2c(N3CCN(O)CC3)cccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N4O3S/c1-14-19-18-16(20-10-12-21(23)13-11-20)8-5-9-17(18)22(14)26(24,25)15-6-3-2-4-7-15/h2-9,23H,10-13H2,1H3
InChIKeyPGJAKQPJMVDVEA-UHFFFAOYSA-N
XLogP2.09
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole
CID 46206303
1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
CID 46204683
2-methyl-4-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 152671319
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-[2-aminoethyl-[1-(benzenesulfonyl)-2-methylbenzimidazol-4-yl]amino]acetic acid
CID 146019540
1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride
CID 91448465
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole
CID 23546844
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 174939258
4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid
CID 22674223
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
3-[1-(benzenesulfonyl)-3-methyl-4-morpholin-4-ylindol-2-yl]-3-oxopropanenitrile
CID 140934724

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole (CID 156596830) is 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole is Cc1nc2c(N3CCN(O)CC3)cccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole?
The InChIKey is PGJAKQPJMVDVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-14-19-18-16(20-10-12-21(23)13-11-20)8-5-9-17(18)22(14)26(24,25)15-6-3-2-4-7-15/h2-9,23H,10-13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole?
1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole has a molecular weight of 372.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole is sourced from PubChem (CID 156596830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).