2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine

C38H44N4O8 — CID 118136283

IUPAC2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine
SMILESCOc1cc(OC)cc(N2CCN(c3cc(OC)cc(OC)c3)C2=C2N(c3cc(OC)cc(OC)c3)CCN2c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C38H44N4O8/c1-43-29-13-25(14-30(21-29)44-2)39-9-10-40(26-15-31(45-3)22-32(16-26)46-4)37(39)38-41(27-17-33(47-5)23-34(18-27)48-6)11-12-42(38)28-19-35(49-7)24-36(20-28)50-8/h13-24H,9-12H2,1-8H3
InChIKeyMZYPIIKSVDPEDP-UHFFFAOYSA-N
MW684.79 g/mol
LogP6.24
Rot. Bonds12

About 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine

2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine (PubChem CID 118136283) has the molecular formula C38H44N4O8 and a molecular weight of 684.79 g/mol. Its IUPAC name is 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine.

Molecular Properties

Compound Name2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine
PubChem CID118136283
Molecular FormulaC38H44N4O8
Molecular Weight684.79 g/mol
Exact Mass684.32
IUPAC Name2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine
SMILESCOc1cc(OC)cc(N2CCN(c3cc(OC)cc(OC)c3)C2=C2N(c3cc(OC)cc(OC)c3)CCN2c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C38H44N4O8/c1-43-29-13-25(14-30(21-29)44-2)39-9-10-40(26-15-31(45-3)22-32(16-26)46-4)37(39)38-41(27-17-33(47-5)23-34(18-27)48-6)11-12-42(38)28-19-35(49-7)24-36(20-28)50-8/h13-24H,9-12H2,1-8H3
InChIKeyMZYPIIKSVDPEDP-UHFFFAOYSA-N
XLogP6.24
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.79
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
CID 24716466
3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
1-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)-2,3-dihydroindole
CID 174937157
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64956840
1-(3-methoxy-5-methylphenyl)pyrrolidine
CID 89202554
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321791
3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
CID 80726785

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine?
The IUPAC name of 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine (CID 118136283) is 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine.
What is the SMILES notation for 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine?
The canonical SMILES for 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine is COc1cc(OC)cc(N2CCN(c3cc(OC)cc(OC)c3)C2=C2N(c3cc(OC)cc(OC)c3)CCN2c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine?
The InChIKey is MZYPIIKSVDPEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N4O8/c1-43-29-13-25(14-30(21-29)44-2)39-9-10-40(26-15-31(45-3)22-32(16-26)46-4)37(39)38-41(27-17-33(47-5)23-34(18-27)48-6)11-12-42(38)28-19-35(49-7)24-36(20-28)50-8/h13-24H,9-12H2,1-8H3.
What are the key properties of 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine?
2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine has a molecular weight of 684.79 g/mol, XLogP of 6.24, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(3,5-dimethoxyphenyl)imidazolidin-2-ylidene]-1,3-bis(3,5-dimethoxyphenyl)imidazolidine is sourced from PubChem (CID 118136283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).