1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine

C39H48N2O2 — CID 102310471

IUPAC1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine
SMILESCOc1ccc(-c2ccccc2)cc1[C@H](N1CCN([C@@H](c2cc(-c3ccccc3)ccc2OC)C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C39H48N2O2/c1-38(2,3)36(32-25-30(19-21-34(32)42-7)28-15-11-9-12-16-28)40-23-24-41(27-40)37(39(4,5)6)33-26-31(20-22-35(33)43-8)29-17-13-10-14-18-29/h9-22,25-26,36-37H,23-24,27H2,1-8H3/t36-,37-/m0/s1
InChIKeyQFQDGLCVHAZZHI-BCRBLDSWSA-N
MW576.83 g/mol
LogP9.49
Rot. Bonds8

About 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine

1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine (PubChem CID 102310471) has the molecular formula C39H48N2O2 and a molecular weight of 576.83 g/mol. Its IUPAC name is 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine
PubChem CID102310471
Molecular FormulaC39H48N2O2
Molecular Weight576.83 g/mol
Exact Mass576.37
IUPAC Name1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine
SMILESCOc1ccc(-c2ccccc2)cc1[C@H](N1CCN([C@@H](c2cc(-c3ccccc3)ccc2OC)C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C39H48N2O2/c1-38(2,3)36(32-25-30(19-21-34(32)42-7)28-15-11-9-12-16-28)40-23-24-41(27-40)37(39(4,5)6)33-26-31(20-22-35(33)43-8)29-17-13-10-14-18-29/h9-22,25-26,36-37H,23-24,27H2,1-8H3/t36-,37-/m0/s1
InChIKeyQFQDGLCVHAZZHI-BCRBLDSWSA-N
XLogP9.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.83
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
CID 102310465
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171225
CID 175508385
CID 175508385
1-[(1S)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273581
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
CID 3719125
3-methoxy-2-methylsulfanyl-6-phenylnaphthalene
CID 140625347
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
1-[(5-bromo-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3295348
1-(2-methoxy-5-phenylphenyl)adamantane
CID 67688498
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine?
The IUPAC name of 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine (CID 102310471) is 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine.
What is the SMILES notation for 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine?
The canonical SMILES for 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine is COc1ccc(-c2ccccc2)cc1[C@H](N1CCN([C@@H](c2cc(-c3ccccc3)ccc2OC)C(C)(C)C)C1)C(C)(C)C.
What is the InChIKey of 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine?
The InChIKey is QFQDGLCVHAZZHI-BCRBLDSWSA-N. The full InChI is InChI=1S/C39H48N2O2/c1-38(2,3)36(32-25-30(19-21-34(32)42-7)28-15-11-9-12-16-28)40-23-24-41(27-40)37(39(4,5)6)33-26-31(20-22-35(33)43-8)29-17-13-10-14-18-29/h9-22,25-26,36-37H,23-24,27H2,1-8H3/t36-,37-/m0/s1.
What are the key properties of 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine?
1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine has a molecular weight of 576.83 g/mol, XLogP of 9.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine is sourced from PubChem (CID 102310471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).