(4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine

C70H88N4 — CID 166958990

IUPAC(4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine
SMILESCc1cc(-c2ccc(N3C(C4CCCC4)[C@H](C)N(c4ccccc4C)C3(c3c(C)cccc3C)C3CCCCCCCC3)cc2)ccc1N1C(c2c(C)cccc2C)N(c2ccccc2)C(C2CCCCC2)[C@@H]1C
InChIInChI=1S/C70H88N4/c1-48-27-21-24-40-64(48)73-55(8)68(58-34-22-23-35-58)74(70(73,66-51(4)30-26-31-52(66)5)60-36-17-11-9-10-12-18-37-60)62-44-41-56(42-45-62)59-43-46-63(53(6)47-59)71-54(7)67(57-32-15-13-16-33-57)72(61-38-19-14-20-39-61)69(71)65-49(2)28-25-29-50(65)3/h14,19-21,24-31,38-47,54-55,57-58,60,67-69H,9-13,15-18,22-23,32-37H2,1-8H3/t54-,55-,67?,68?,69?,70?/m0/s1
InChIKeyWBJNFSWYOGWOKE-MURKTCQVSA-N
MW985.50 g/mol
LogP18.44
Rot. Bonds10

About (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine

(4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine (PubChem CID 166958990) has the molecular formula C70H88N4 and a molecular weight of 985.50 g/mol. Its IUPAC name is (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine.

Molecular Properties

Compound Name(4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine
PubChem CID166958990
Molecular FormulaC70H88N4
Molecular Weight985.50 g/mol
Exact Mass984.70
IUPAC Name(4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine
SMILESCc1cc(-c2ccc(N3C(C4CCCC4)[C@H](C)N(c4ccccc4C)C3(c3c(C)cccc3C)C3CCCCCCCC3)cc2)ccc1N1C(c2c(C)cccc2C)N(c2ccccc2)C(C2CCCCC2)[C@@H]1C
InChIInChI=1S/C70H88N4/c1-48-27-21-24-40-64(48)73-55(8)68(58-34-22-23-35-58)74(70(73,66-51(4)30-26-31-52(66)5)60-36-17-11-9-10-12-18-37-60)62-44-41-56(42-45-62)59-43-46-63(53(6)47-59)71-54(7)67(57-32-15-13-16-33-57)72(61-38-19-14-20-39-61)69(71)65-49(2)28-25-29-50(65)3/h14,19-21,24-31,38-47,54-55,57-58,60,67-69H,9-13,15-18,22-23,32-37H2,1-8H3/t54-,55-,67?,68?,69?,70?/m0/s1
InChIKeyWBJNFSWYOGWOKE-MURKTCQVSA-N
XLogP18.44
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.50
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine with MolForge

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Related Compounds

(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(3S)-4-cyclohexyl-4-cyclopentyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162705977
(1S)-5-cyclohexyl-7a-cyclooctyl-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-1,3-dihydropyrrolo[1,2-c]imidazole
CID 166958987
(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706310
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706264
(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706596
(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706019
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706306
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
(1S)-7-cyclohexyl-1-methyl-2-(2-methylphenyl)-7-phenyl-3-(trideuteriomethyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706325

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine?
The IUPAC name of (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine (CID 166958990) is (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine.
What is the SMILES notation for (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine?
The canonical SMILES for (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine is Cc1cc(-c2ccc(N3C(C4CCCC4)[C@H](C)N(c4ccccc4C)C3(c3c(C)cccc3C)C3CCCCCCCC3)cc2)ccc1N1C(c2c(C)cccc2C)N(c2ccccc2)C(C2CCCCC2)[C@@H]1C.
What is the InChIKey of (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine?
The InChIKey is WBJNFSWYOGWOKE-MURKTCQVSA-N. The full InChI is InChI=1S/C70H88N4/c1-48-27-21-24-40-64(48)73-55(8)68(58-34-22-23-35-58)74(70(73,66-51(4)30-26-31-52(66)5)60-36-17-11-9-10-12-18-37-60)62-44-41-56(42-45-62)59-43-46-63(53(6)47-59)71-54(7)67(57-32-15-13-16-33-57)72(61-38-19-14-20-39-61)69(71)65-49(2)28-25-29-50(65)3/h14,19-21,24-31,38-47,54-55,57-58,60,67-69H,9-13,15-18,22-23,32-37H2,1-8H3/t54-,55-,67?,68?,69?,70?/m0/s1.
What are the key properties of (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine?
(4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine has a molecular weight of 985.50 g/mol, XLogP of 18.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[4-[4-[(5S)-4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-3-phenylimidazolidin-1-yl]-3-methylphenyl]phenyl]-2-cyclononyl-5-cyclopentyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)imidazolidine is sourced from PubChem (CID 166958990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).