(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine

C49H56N2 — CID 162398059

IUPAC(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine
SMILESCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1N1CN(c2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C49H56N2/c1-32-13-15-42(48-25-34-17-35(26-48)19-36(18-34)27-48)23-44(32)50-31-51(47(41-11-7-4-8-12-41)46(50)40-9-5-3-6-10-40)45-24-43(16-14-33(45)2)49-28-37-20-38(29-49)22-39(21-37)30-49/h3-16,23-24,34-39,46-47H,17-22,25-31H2,1-2H3/t34?,35?,36?,37?,38?,39?,46-,47-,48?,49?/m1/s1
InChIKeyYNHSOSQUMGVMBA-BWBFIDSLSA-N
MW673.00 g/mol
LogP12.01
Rot. Bonds6

About (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine

(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine (PubChem CID 162398059) has the molecular formula C49H56N2 and a molecular weight of 673.00 g/mol. Its IUPAC name is (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine
PubChem CID162398059
Molecular FormulaC49H56N2
Molecular Weight673.00 g/mol
Exact Mass672.44
IUPAC Name(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine
SMILESCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1N1CN(c2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C49H56N2/c1-32-13-15-42(48-25-34-17-35(26-48)19-36(18-34)27-48)23-44(32)50-31-51(47(41-11-7-4-8-12-41)46(50)40-9-5-3-6-10-40)45-24-43(16-14-33(45)2)49-28-37-20-38(29-49)22-39(21-37)30-49/h3-16,23-24,34-39,46-47H,17-22,25-31H2,1-2H3/t34?,35?,36?,37?,38?,39?,46-,47-,48?,49?/m1/s1
InChIKeyYNHSOSQUMGVMBA-BWBFIDSLSA-N
XLogP12.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.00
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-adamantyl)phenyl]-phenyliodanium
CID 154594349
5-(1-adamantyl)-2-methylaniline;hydrochloride
CID 75485274
2-(1-adamantyl)-9,9-dimethylfluorene
CID 59217277
2,7-bis(1-adamantyl)-9,9-bis(3,4-dimethylphenyl)fluorene
CID 90865603
5-[5-(1-adamantyl)-2-methylphenyl]-4-aminopyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330653
2-[5-(1-adamantyl)-2-hydroxyphenyl]isoindole-1,3-dione
CID 168518406
1-[4-[4-(1-adamantyl)-2-methylphenyl]phenyl]adamantane
CID 86630166
(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 134942689
4-(1-adamantyl)-2-pyrrolidin-1-ylphenol
CID 168514325
(4S,5R)-1,3,4,5-tetraphenylimidazolidine
CID 15727757
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169386127

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine?
The IUPAC name of (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine (CID 162398059) is (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine.
What is the SMILES notation for (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine?
The canonical SMILES for (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine is Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1N1CN(c2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine?
The InChIKey is YNHSOSQUMGVMBA-BWBFIDSLSA-N. The full InChI is InChI=1S/C49H56N2/c1-32-13-15-42(48-25-34-17-35(26-48)19-36(18-34)27-48)23-44(32)50-31-51(47(41-11-7-4-8-12-41)46(50)40-9-5-3-6-10-40)45-24-43(16-14-33(45)2)49-28-37-20-38(29-49)22-39(21-37)30-49/h3-16,23-24,34-39,46-47H,17-22,25-31H2,1-2H3/t34?,35?,36?,37?,38?,39?,46-,47-,48?,49?/m1/s1.
What are the key properties of (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine?
(4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine has a molecular weight of 673.00 g/mol, XLogP of 12.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis[5-(1-adamantyl)-2-methylphenyl]-4,5-diphenylimidazolidine is sourced from PubChem (CID 162398059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).