4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine

C18H19ClN4O3S — CID 91226547

IUPAC4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine
SMILESO=S(COc1nc2ccccc2[nH]1)Cc1nccc(N2CCOCC2)c1Cl
InChIInChI=1S/C18H19ClN4O3S/c19-17-15(20-6-5-16(17)23-7-9-25-10-8-23)11-27(24)12-26-18-21-13-3-1-2-4-14(13)22-18/h1-6H,7-12H2,(H,21,22)
InChIKeyWUTVDXUOUAGLCU-UHFFFAOYSA-N
MW406.90 g/mol
LogP2.73
Rot. Bonds6

About 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine

4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine (PubChem CID 91226547) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine
PubChem CID91226547
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine
SMILESO=S(COc1nc2ccccc2[nH]1)Cc1nccc(N2CCOCC2)c1Cl
InChIInChI=1S/C18H19ClN4O3S/c19-17-15(20-6-5-16(17)23-7-9-25-10-8-23)11-27(24)12-26-18-21-13-3-1-2-4-14(13)22-18/h1-6H,7-12H2,(H,21,22)
InChIKeyWUTVDXUOUAGLCU-UHFFFAOYSA-N
XLogP2.73
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
CID 11690012
CID 69457343
CID 69457343
4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine
CID 18541247
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1436952
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
2-[[4-(1,4-dioxan-2-ylmethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 59792471
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
2-[(6-chloro-3-morpholin-4-yl-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 171430440
2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
CID 142656515

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine (CID 91226547) is 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine is O=S(COc1nc2ccccc2[nH]1)Cc1nccc(N2CCOCC2)c1Cl.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine?
The InChIKey is WUTVDXUOUAGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c19-17-15(20-6-5-16(17)23-7-9-25-10-8-23)11-27(24)12-26-18-21-13-3-1-2-4-14(13)22-18/h1-6H,7-12H2,(H,21,22).
What are the key properties of 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine?
4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine has a molecular weight of 406.90 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine is sourced from PubChem (CID 91226547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).