2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide

C38H30ClF2N5O4S — CID 150760646

IUPAC2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(Cl)cccc1Sc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F
InChIInChI=1S/C38H30ClF2N5O4S/c1-45(2)38(47)31-27(39)13-8-14-30(31)51-34-32(40)36(49-26-12-7-11-25(20-26)35-43-17-18-46(35)3)44-37(33(34)41)50-29-19-24(21-42)15-16-28(29)48-22-23-9-5-4-6-10-23/h4-16,19-20H,17-18,22H2,1-3H3
InChIKeyJXTMZUDYMPEDFP-UHFFFAOYSA-N
MW726.21 g/mol
LogP8.59
Rot. Bonds11

About 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide

2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide (PubChem CID 150760646) has the molecular formula C38H30ClF2N5O4S and a molecular weight of 726.21 g/mol. Its IUPAC name is 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide
PubChem CID150760646
Molecular FormulaC38H30ClF2N5O4S
Molecular Weight726.21 g/mol
Exact Mass725.17
IUPAC Name2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(Cl)cccc1Sc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F
InChIInChI=1S/C38H30ClF2N5O4S/c1-45(2)38(47)31-27(39)13-8-14-30(31)51-34-32(40)36(49-26-12-7-11-25(20-26)35-43-17-18-46(35)3)44-37(33(34)41)50-29-19-24(21-42)15-16-28(29)48-22-23-9-5-4-6-10-23/h4-16,19-20H,17-18,22H2,1-3H3
InChIKeyJXTMZUDYMPEDFP-UHFFFAOYSA-N
XLogP8.59
TPSA100.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.21
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]-methylamino]propanoate
CID 18782177
ethyl 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]-methylamino]-3-methylbutanoate
CID 21198328
tert-butyl 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 21198227
[6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl methyl carbonate
CID 23442197
3-[6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-2-(4-phenylmethoxyphenyl)pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile
CID 22618161
3-[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-pyridin-2-ylpyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile
CID 22618117
3-[[8-methyl-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-2-yl]oxy]-4-phenylmethoxybenzonitrile
CID 142643075
2-[4-[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-difluoro-4-pyridinyl]piperazin-1-yl]acetic acid
CID 23441780
ethyl 4-amino-2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridinyl]-methylamino]-4-oxobutanoate
CID 21198444
3-[[3,5-difluoro-6-[3-(1-(113C)methyl-(413C,1,3-15N2)4,5-dihydroimidazol-2-yl)phenoxy]-4-morpholin-4-yl-2-pyridinyl]oxy]-4-phenylmethoxy(13C2,15N2)benzenecarboximidamide
CID 10627692
3-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-(dimethylamino)benzonitrile
CID 18916976
3-[6-(benzylamino)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-(dimethylamino)benzonitrile
CID 18916657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide (CID 150760646) is 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1c(Cl)cccc1Sc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F.
What is the InChIKey of 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide?
The InChIKey is JXTMZUDYMPEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30ClF2N5O4S/c1-45(2)38(47)31-27(39)13-8-14-30(31)51-34-32(40)36(49-26-12-7-11-25(20-26)35-43-17-18-46(35)3)44-37(33(34)41)50-29-19-24(21-42)15-16-28(29)48-22-23-9-5-4-6-10-23/h4-16,19-20H,17-18,22H2,1-3H3.
What are the key properties of 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide?
2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide has a molecular weight of 726.21 g/mol, XLogP of 8.59, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfanyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 150760646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).