2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine

C27H31ClN2O6 — CID 134103891

IUPAC2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine
SMILESCOc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)C2c2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C27H31ClN2O6/c1-31-21-13-17(14-22(32-2)25(21)35-5)29-11-12-30(27(29)19-9-7-8-10-20(19)28)18-15-23(33-3)26(36-6)24(16-18)34-4/h7-10,13-16,27H,11-12H2,1-6H3
InChIKeyPRTVAEZWFBQDQH-UHFFFAOYSA-N
MW515.01 g/mol
LogP5.42
Rot. Bonds9

About 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine

2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine (PubChem CID 134103891) has the molecular formula C27H31ClN2O6 and a molecular weight of 515.01 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine
PubChem CID134103891
Molecular FormulaC27H31ClN2O6
Molecular Weight515.01 g/mol
Exact Mass514.19
IUPAC Name2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine
SMILESCOc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)C2c2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C27H31ClN2O6/c1-31-21-13-17(14-22(32-2)25(21)35-5)29-11-12-30(27(29)19-9-7-8-10-20(19)28)18-15-23(33-3)26(36-6)24(16-18)34-4/h7-10,13-16,27H,11-12H2,1-6H3
InChIKeyPRTVAEZWFBQDQH-UHFFFAOYSA-N
XLogP5.42
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.01
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethoxyphenyl)-1,3-diphenylimidazolidine
CID 1106964
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772095
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772096
[(4S)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
CID 102233510
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine
CID 11696837
1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 126476486
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole
CID 91579106
3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308116
(2S)-1-(4-chlorophenyl)-2-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
CID 40527419
1-chloro-9-methoxyphenanthrene
CID 174558891

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine?
The IUPAC name of 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine (CID 134103891) is 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine is COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)C2c2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine?
The InChIKey is PRTVAEZWFBQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O6/c1-31-21-13-17(14-22(32-2)25(21)35-5)29-11-12-30(27(29)19-9-7-8-10-20(19)28)18-15-23(33-3)26(36-6)24(16-18)34-4/h7-10,13-16,27H,11-12H2,1-6H3.
What are the key properties of 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine?
2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine has a molecular weight of 515.01 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine is sourced from PubChem (CID 134103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).