1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine

C51H66N6 — CID 134839654

IUPAC1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine
SMILESC=C1N(Cc2ccc(CC)cc2)CCN1Cc1c(C)c(CN2CCN(Cc3ccc(CC)cc3)C2=C)c(C)c(CN2CCN(Cc3ccc(CC)cc3)C2=C)c1C
InChIInChI=1S/C51H66N6/c1-10-43-13-19-46(20-14-43)31-52-25-28-55(40(52)7)34-49-37(4)50(35-56-29-26-53(41(56)8)32-47-21-15-44(11-2)16-22-47)39(6)51(38(49)5)36-57-30-27-54(42(57)9)33-48-23-17-45(12-3)18-24-48/h13-24H,7-12,25-36H2,1-6H3
InChIKeyZPTODJIBXMDICG-UHFFFAOYSA-N
MW763.13 g/mol
LogP9.67
Rot. Bonds15

About 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine

1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine (PubChem CID 134839654) has the molecular formula C51H66N6 and a molecular weight of 763.13 g/mol. Its IUPAC name is 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine.

Molecular Properties

Compound Name1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine
PubChem CID134839654
Molecular FormulaC51H66N6
Molecular Weight763.13 g/mol
Exact Mass762.53
IUPAC Name1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine
SMILESC=C1N(Cc2ccc(CC)cc2)CCN1Cc1c(C)c(CN2CCN(Cc3ccc(CC)cc3)C2=C)c(C)c(CN2CCN(Cc3ccc(CC)cc3)C2=C)c1C
InChIInChI=1S/C51H66N6/c1-10-43-13-19-46(20-14-43)31-52-25-28-55(40(52)7)34-49-37(4)50(35-56-29-26-53(41(56)8)32-47-21-15-44(11-2)16-22-47)39(6)51(38(49)5)36-57-30-27-54(42(57)9)33-48-23-17-45(12-3)18-24-48/h13-24H,7-12,25-36H2,1-6H3
InChIKeyZPTODJIBXMDICG-UHFFFAOYSA-N
XLogP9.67
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.13
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine with MolForge

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Related Compounds

1,1',3,3'-Tetrabenzyl-2,2'-biimidazolidine
CID 13462185
(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine
CID 102182826
(4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine
CID 10963366
1,3-Dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine
CID 12782482
2-(Anthracen-9-yl)-1,3-dibenzylimidazolidine
CID 4468123
1-[(2-Phenylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]imidazolidine
CID 91240906
N,N'-bis(9-anthrylmethyl)imidazolidine
CID 129753704
1,3-Bis(anthracen-9-ylmethyl)-2-(3-phenylbicyclo[2.2.1]hepta-2,5-dien-2-yl)imidazolidine
CID 129875066
CID 134839653
CID 134839653
3,6,17,20-Tetrazanonacyclo[20.6.6.68,15.13,6.117,20.09,14.023,28.029,34.036,41]dotetraconta-1(29),4,8,10,12,14,18,22(34),23,25,27,30,32,36,38,40-hexadecaene
CID 134941603
3,6,13,16-Tetrazaheptacyclo[16.6.6.28,11.13,6.113,16.019,24.025,30]tetratriaconta-1(25),4,8(33),9,11(32),14,18(30),19,21,23,26,28-dodecaene
CID 134941604
1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;chlorogold;phenylbenzene
CID 134962257

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine?
The IUPAC name of 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine (CID 134839654) is 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine.
What is the SMILES notation for 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine?
The canonical SMILES for 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine is C=C1N(Cc2ccc(CC)cc2)CCN1Cc1c(C)c(CN2CCN(Cc3ccc(CC)cc3)C2=C)c(C)c(CN2CCN(Cc3ccc(CC)cc3)C2=C)c1C.
What is the InChIKey of 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine?
The InChIKey is ZPTODJIBXMDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H66N6/c1-10-43-13-19-46(20-14-43)31-52-25-28-55(40(52)7)34-49-37(4)50(35-56-29-26-53(41(56)8)32-47-21-15-44(11-2)16-22-47)39(6)51(38(49)5)36-57-30-27-54(42(57)9)33-48-23-17-45(12-3)18-24-48/h13-24H,7-12,25-36H2,1-6H3.
What are the key properties of 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine?
1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine has a molecular weight of 763.13 g/mol, XLogP of 9.67, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis[[3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidin-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-[(4-ethylphenyl)methyl]-2-methylideneimidazolidine is sourced from PubChem (CID 134839654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).