1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol

C23H26N4OS — CID 10409082

IUPAC1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2nc3sc4ccccc4c3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4OS/c1-17(28)15-25-11-13-26(14-12-25)23-24-22-21(19-9-5-6-10-20(19)29-22)27(23)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3
InChIKeyQQJQCNJEMXDKAW-UHFFFAOYSA-N
MW406.56 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol

1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 10409082) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID10409082
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2nc3sc4ccccc4c3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4OS/c1-17(28)15-25-11-13-26(14-12-25)23-24-22-21(19-9-5-6-10-20(19)29-22)27(23)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3
InChIKeyQQJQCNJEMXDKAW-UHFFFAOYSA-N
XLogP3.80
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

ethyl 4-[1-[(4-fluorophenyl)methyl]-[1]benzothiolo[2,3-d]imidazol-2-yl]piperazine-1-carboxylate
CID 10478293
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propyl-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10718167
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-propyl-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10812948
(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133499647
1-[4-(1,3-benzothiazol-2-yldisulfanyl)piperazin-1-yl]propan-2-ol
CID 132988816
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705
(2R)-1-[4-(3-morpholin-4-ylquinoxalin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486263
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
1-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol
CID 20533526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol (CID 10409082) is 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(c2nc3sc4ccccc4c3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is QQJQCNJEMXDKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-17(28)15-25-11-13-26(14-12-25)23-24-22-21(19-9-5-6-10-20(19)29-22)27(23)16-18-7-3-2-4-8-18/h2-10,17,28H,11-16H2,1H3.
What are the key properties of 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol?
1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 406.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 10409082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).