1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine

C27H40N2O2 — CID 102310465

IUPAC1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
SMILESCOc1ccccc1[C@H](N1CCN([C@@H](c2ccccc2OC)C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C27H40N2O2/c1-26(2,3)24(20-13-9-11-15-22(20)30-7)28-17-18-29(19-28)25(27(4,5)6)21-14-10-12-16-23(21)31-8/h9-16,24-25H,17-19H2,1-8H3/t24-,25-/m0/s1
InChIKeyJDKILOCRVIGQHK-DQEYMECFSA-N
MW424.63 g/mol
LogP6.15
Rot. Bonds6

About 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine

1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine (PubChem CID 102310465) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
PubChem CID102310465
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
SMILESCOc1ccccc1[C@H](N1CCN([C@@H](c2ccccc2OC)C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C27H40N2O2/c1-26(2,3)24(20-13-9-11-15-22(20)30-7)28-17-18-29(19-28)25(27(4,5)6)21-14-10-12-16-23(21)31-8/h9-16,24-25H,17-19H2,1-8H3/t24-,25-/m0/s1
InChIKeyJDKILOCRVIGQHK-DQEYMECFSA-N
XLogP6.15
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[(1R)-1-(2-methoxy-5-phenylphenyl)-2,2-dimethylpropyl]imidazolidine
CID 102310471
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171172325
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
1-[(1S)-1-(2,6-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171274848
[1-(2-methoxyphenyl)-2,2-dimethylpropyl]carbamodithioic acid
CID 154510233
1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530470
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol
CID 171284147
1-[(1S)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273581
(1R,3S)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236822

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine?
The IUPAC name of 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine (CID 102310465) is 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine.
What is the SMILES notation for 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine?
The canonical SMILES for 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine is COc1ccccc1[C@H](N1CCN([C@@H](c2ccccc2OC)C(C)(C)C)C1)C(C)(C)C.
What is the InChIKey of 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine?
The InChIKey is JDKILOCRVIGQHK-DQEYMECFSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-26(2,3)24(20-13-9-11-15-22(20)30-7)28-17-18-29(19-28)25(27(4,5)6)21-14-10-12-16-23(21)31-8/h9-16,24-25H,17-19H2,1-8H3/t24-,25-/m0/s1.
What are the key properties of 1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine?
1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine has a molecular weight of 424.63 g/mol, XLogP of 6.15, 6 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-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine is sourced from PubChem (CID 102310465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).