4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine

C20H22N4O3S — CID 10763398

IUPAC4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine
SMILESCOc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C20H22N4O3S/c1-26-18-7-4-8-21-19(18)24-10-9-22-20(24)28(25)15-16-5-2-3-6-17(16)23-11-13-27-14-12-23/h2-10H,11-15H2,1H3
InChIKeyXVTUCURXKWATAK-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.42
Rot. Bonds6

About 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine

4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine (PubChem CID 10763398) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine
PubChem CID10763398
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine
SMILESCOc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C20H22N4O3S/c1-26-18-7-4-8-21-19(18)24-10-9-22-20(24)28(25)15-16-5-2-3-6-17(16)23-11-13-27-14-12-23/h2-10H,11-15H2,1H3
InChIKeyXVTUCURXKWATAK-UHFFFAOYSA-N
XLogP2.42
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
CID 10618259
N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10622627
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N,N-diethyl-2-[[1-(3-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10690397
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
3-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-nitroaniline
CID 122142010
N-ethyl-4-(2-methoxyphenyl)-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133868
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 95177714
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 26335696
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine?
The IUPAC name of 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine (CID 10763398) is 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine is COc1cccnc1-n1ccnc1S(=O)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine?
The InChIKey is XVTUCURXKWATAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-18-7-4-8-21-19(18)24-10-9-22-20(24)28(25)15-16-5-2-3-6-17(16)23-11-13-27-14-12-23/h2-10H,11-15H2,1H3.
What are the key properties of 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine?
4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine has a molecular weight of 398.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]morpholine is sourced from PubChem (CID 10763398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).