2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole

C36H46N6 — CID 123246985

IUPAC2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole
SMILESCCC1NC(C2N=C(c3ccc(-c4ccc5cc(C6=NC(C7CC(C)C(CC)N7)NC6)ccc5c4)cc3)CN2)CC1C
InChIInChI=1S/C36H46N6/c1-5-29-21(3)15-31(39-29)35-37-19-33(41-35)24-9-7-23(8-10-24)25-11-12-27-18-28(14-13-26(27)17-25)34-20-38-36(42-34)32-16-22(4)30(6-2)40-32/h7-14,17-18,21-22,29-32,35-40H,5-6,15-16,19-20H2,1-4H3
InChIKeyDLXRSRAPSRLLRZ-UHFFFAOYSA-N
MW562.81 g/mol
LogP5.50
Rot. Bonds7

About 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole

2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole (PubChem CID 123246985) has the molecular formula C36H46N6 and a molecular weight of 562.81 g/mol. Its IUPAC name is 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole
PubChem CID123246985
Molecular FormulaC36H46N6
Molecular Weight562.81 g/mol
Exact Mass562.38
IUPAC Name2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole
SMILESCCC1NC(C2N=C(c3ccc(-c4ccc5cc(C6=NC(C7CC(C)C(CC)N7)NC6)ccc5c4)cc3)CN2)CC1C
InChIInChI=1S/C36H46N6/c1-5-29-21(3)15-31(39-29)35-37-19-33(41-35)24-9-7-23(8-10-24)25-11-12-27-18-28(14-13-26(27)17-25)34-20-38-36(42-34)32-16-22(4)30(6-2)40-32/h7-14,17-18,21-22,29-32,35-40H,5-6,15-16,19-20H2,1-4H3
InChIKeyDLXRSRAPSRLLRZ-UHFFFAOYSA-N
XLogP5.50
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.81
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole 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

(5S)-1-[[1-[(2R)-2-[(4R)-4-butyl-2-imino-3-[2-[4-(2-methylpropyl)phenyl]propyl]imidazolidin-1-yl]-3-naphthalen-2-ylpropyl]pyrrolidin-2-yl]methyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 44416854
(5S)-1-[[1-[(2R)-2-[(4S)-4-(cyclohexylmethyl)-2-imino-3-[2-[4-(2-methylpropyl)phenyl]propyl]imidazolidin-1-yl]-3-naphthalen-2-ylpropyl]pyrrolidin-2-yl]methyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 44416856
(5S)-5-benzyl-1-[[1-[(2R)-2-[(4R)-4-butyl-2-imino-3-[2-[4-(2-methylpropyl)phenyl]propyl]imidazolidin-1-yl]-3-naphthalen-2-ylpropyl]pyrrolidin-2-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 44416977
(5S)-1-[[1-[(2R)-2-[(4R)-4-(cyclohexylmethyl)-2-imino-3-[2-[4-(2-methylpropyl)phenyl]propyl]imidazolidin-1-yl]-3-naphthalen-2-ylpropyl]pyrrolidin-2-yl]methyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 44417085
1-[2-[4-[4-[6-[C-(aminomethyl)-N-[fluoro-[4-methyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]carbonimidoyl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 123791871
(5R)-N-[(Z)-1-[4-[6-[(Z)-2-amino-1-[[(5R)-5-methylpyrrolidin-2-yl]methylideneamino]ethenyl]naphthalen-2-yl]phenyl]-2-(methylideneamino)ethenyl]-5-methylpyrrolidin-2-amine
CID 68337392
2-(4-methylpyrrolidin-2-yl)-4-[7-[4-[2-(4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,5-dihydro-1H-imidazole
CID 123365227
2-[6-[6-[2-(4-Ethynylpyrrolidin-2-yl)-3-methyl-2,4-dihydroimidazol-4-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(5-ethynylpyrrolidin-2-yl)methylimino]ethanamine
CID 123557108
tert-butyl 2-[4-[6-[4-[2-[5-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methyl-2,4-dihydroimidazol-5-yl]phenyl]naphthalen-2-yl]-2,5-dihydro-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate
CID 123621396
2-(5-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-methylpyrrolidin-2-yl)-2,3-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,3-dihydro-1H-imidazole
CID 123660079
2-pyrrolidin-2-yl-4-[6-(2-pyrrolidin-2-yl-2,5-dihydro-1H-imidazol-4-yl)naphthalen-2-yl]-2,5-dihydro-1H-imidazole
CID 123739304
2-pyrrolidin-2-yl-4-[7-[4-(2-pyrrolidin-2-yl-2,5-dihydro-1H-imidazol-4-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,5-dihydro-1H-imidazole
CID 123749507

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole?
The IUPAC name of 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole (CID 123246985) is 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole is CCC1NC(C2N=C(c3ccc(-c4ccc5cc(C6=NC(C7CC(C)C(CC)N7)NC6)ccc5c4)cc3)CN2)CC1C.
What is the InChIKey of 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole?
The InChIKey is DLXRSRAPSRLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N6/c1-5-29-21(3)15-31(39-29)35-37-19-33(41-35)24-9-7-23(8-10-24)25-11-12-27-18-28(14-13-26(27)17-25)34-20-38-36(42-34)32-16-22(4)30(6-2)40-32/h7-14,17-18,21-22,29-32,35-40H,5-6,15-16,19-20H2,1-4H3.
What are the key properties of 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole?
2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole has a molecular weight of 562.81 g/mol, XLogP of 5.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methylpyrrolidin-2-yl)-4-[4-[6-[2-(5-ethyl-4-methylpyrrolidin-2-yl)-2,5-dihydro-1H-imidazol-4-yl]naphthalen-2-yl]phenyl]-2,5-dihydro-1H-imidazole is sourced from PubChem (CID 123246985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).