4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide

C20H24BrN3OS — CID 2947873

IUPAC4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
SMILESBr.c1ccc(Cn2c(SCCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3OS.BrH/c1-2-6-17(7-3-1)16-23-19-9-5-4-8-18(19)21-20(23)25-15-12-22-10-13-24-14-11-22;/h1-9H,10-16H2;1H
InChIKeyUBCKYCIJVUCUTH-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.09
Rot. Bonds6

About 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide

4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide (PubChem CID 2947873) has the molecular formula C20H24BrN3OS and a molecular weight of 434.40 g/mol. Its IUPAC name is 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide.

Molecular Properties

Compound Name4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
PubChem CID2947873
Molecular FormulaC20H24BrN3OS
Molecular Weight434.40 g/mol
Exact Mass433.08
IUPAC Name4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
SMILESBr.c1ccc(Cn2c(SCCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3OS.BrH/c1-2-6-17(7-3-1)16-23-19-9-5-4-8-18(19)21-20(23)25-15-12-22-10-13-24-14-11-22;/h1-9H,10-16H2;1H
InChIKeyUBCKYCIJVUCUTH-UHFFFAOYSA-N
XLogP4.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 700789
4-[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 30334149
4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 8003412
1-benzyl-2-prop-2-enylsulfanylbenzimidazole
CID 46731894
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
4-[2-[[4-benzyl-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26337294
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[2-[[4-benzyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26275280
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide?
The IUPAC name of 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide (CID 2947873) is 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide.
What is the SMILES notation for 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide?
The canonical SMILES for 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide is Br.c1ccc(Cn2c(SCCN3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide?
The InChIKey is UBCKYCIJVUCUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS.BrH/c1-2-6-17(7-3-1)16-23-19-9-5-4-8-18(19)21-20(23)25-15-12-22-10-13-24-14-11-22;/h1-9H,10-16H2;1H.
What are the key properties of 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide?
4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide has a molecular weight of 434.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide is sourced from PubChem (CID 2947873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).