4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol

C25H26N4OS — CID 4782224

IUPAC4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cn3c(SCc4ccccc4)nc4ccccc43)CC2)cc1
InChIInChI=1S/C25H26N4OS/c30-22-12-10-21(11-13-22)28-16-14-27(15-17-28)19-29-24-9-5-4-8-23(24)26-25(29)31-18-20-6-2-1-3-7-20/h1-13,30H,14-19H2
InChIKeyFJQLCMRSZANQMT-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.81
Rot. Bonds6

About 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol

4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol (PubChem CID 4782224) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol
PubChem CID4782224
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cn3c(SCc4ccccc4)nc4ccccc43)CC2)cc1
InChIInChI=1S/C25H26N4OS/c30-22-12-10-21(11-13-22)28-16-14-27(15-17-28)19-29-24-9-5-4-8-23(24)26-25(29)31-18-20-6-2-1-3-7-20/h1-13,30H,14-19H2
InChIKeyFJQLCMRSZANQMT-UHFFFAOYSA-N
XLogP4.81
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 4882290
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 23734487
4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
CID 30238912
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 40688694
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol (CID 4782224) is 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cn3c(SCc4ccccc4)nc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is FJQLCMRSZANQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c30-22-12-10-21(11-13-22)28-16-14-27(15-17-28)19-29-24-9-5-4-8-23(24)26-25(29)31-18-20-6-2-1-3-7-20/h1-13,30H,14-19H2.
What are the key properties of 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol?
4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 430.58 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 4782224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).