1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol

C29H25N3OS — CID 23734487

IUPAC1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
SMILESOC(Cn1c(SCc2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C29H25N3OS/c33-22(18-31-26-15-7-4-12-23(26)24-13-5-8-16-27(24)31)19-32-28-17-9-6-14-25(28)30-29(32)34-20-21-10-2-1-3-11-21/h1-17,22,33H,18-20H2
InChIKeyUJZMBWNHCHXPAX-UHFFFAOYSA-N
MW463.61 g/mol
LogP6.50
Rot. Bonds7

About 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol

1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol (PubChem CID 23734487) has the molecular formula C29H25N3OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
PubChem CID23734487
Molecular FormulaC29H25N3OS
Molecular Weight463.61 g/mol
Exact Mass463.17
IUPAC Name1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
SMILESOC(Cn1c(SCc2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C29H25N3OS/c33-22(18-31-26-15-7-4-12-23(26)24-13-5-8-16-27(24)31)19-32-28-17-9-6-14-25(28)30-29(32)34-20-21-10-2-1-3-11-21/h1-17,22,33H,18-20H2
InChIKeyUJZMBWNHCHXPAX-UHFFFAOYSA-N
XLogP6.50
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.61
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol
CID 23800426
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940
3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propane-1,2-diol
CID 2772502
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol (CID 23734487) is 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol is OC(Cn1c(SCc2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
The InChIKey is UJZMBWNHCHXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3OS/c33-22(18-31-26-15-7-4-12-23(26)24-13-5-8-16-27(24)31)19-32-28-17-9-6-14-25(28)30-29(32)34-20-21-10-2-1-3-11-21/h1-17,22,33H,18-20H2.
What are the key properties of 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol has a molecular weight of 463.61 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 23734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).