5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole

C19H26N6O2S — CID 121477871

IUPAC5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole
SMILESCn1cnc2cc(S(=O)(=O)N3CCN=C3N3CCN(C4CCC4)CC3)ccc21
InChIInChI=1S/C19H26N6O2S/c1-22-14-21-17-13-16(5-6-18(17)22)28(26,27)25-8-7-20-19(25)24-11-9-23(10-12-24)15-3-2-4-15/h5-6,13-15H,2-4,7-12H2,1H3
InChIKeyAWSCWSFNZVGROH-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.10
Rot. Bonds3

About 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole

5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole (PubChem CID 121477871) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole
PubChem CID121477871
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole
SMILESCn1cnc2cc(S(=O)(=O)N3CCN=C3N3CCN(C4CCC4)CC3)ccc21
InChIInChI=1S/C19H26N6O2S/c1-22-14-21-17-13-16(5-6-18(17)22)28(26,27)25-8-7-20-19(25)24-11-9-23(10-12-24)15-3-2-4-15/h5-6,13-15H,2-4,7-12H2,1H3
InChIKeyAWSCWSFNZVGROH-UHFFFAOYSA-N
XLogP1.10
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-1-ol
CID 2400480
2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
CID 3713514
1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
CID 594620
Oryzalin metabolite OR-14
CID 101913340
1-Phenyl-1H-benzimidazole-5-thiol
CID 5328513
2-Tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(2-methylbutyl)benzimidazole
CID 90654968
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
Piperidine, 1-[(1-ethyl-2-methyl-1H-benzimidazol-5-yl)sulfonyl]-
CID 2828846
4-[2-(6-Methyl-pyridin-2-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10271231
1-methyl-2-(4-tosylpiperazin-1-yl)-1H-benzo[d]imidazole
CID 16812383
4-(1,2-Dimethylimidazol-5-yl)-2-[4-(N-methylsulphamoyl)anilino]pyrimidine
CID 22273530
4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 22273548

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole?
The IUPAC name of 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole (CID 121477871) is 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole.
What is the SMILES notation for 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole?
The canonical SMILES for 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole is Cn1cnc2cc(S(=O)(=O)N3CCN=C3N3CCN(C4CCC4)CC3)ccc21.
What is the InChIKey of 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole?
The InChIKey is AWSCWSFNZVGROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-22-14-21-17-13-16(5-6-18(17)22)28(26,27)25-8-7-20-19(25)24-11-9-23(10-12-24)15-3-2-4-15/h5-6,13-15H,2-4,7-12H2,1H3.
What are the key properties of 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole?
5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole has a molecular weight of 402.52 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole is sourced from PubChem (CID 121477871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).