2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole

C35H46N6 — CID 144594012

IUPAC2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole
SMILESC[C@@H]1CN[C@H](C2NC=C(c3ccc(-c4ccc(C5=CNC([C@@H]6C[C@H](C)CN6)N5)c5c4C4(CCCC4)CC5)cc3)N2)C1
InChIInChI=1S/C35H46N6/c1-21-15-28(36-17-21)33-38-19-30(40-33)24-7-5-23(6-8-24)25-9-10-26(27-11-14-35(32(25)27)12-3-4-13-35)31-20-39-34(41-31)29-16-22(2)18-37-29/h5-10,19-22,28-29,33-34,36-41H,3-4,11-18H2,1-2H3/t21-,22-,28-,29-,33?,34?/m0/s1
InChIKeyUGDVEIHSVGDLFJ-KUKRNABQSA-N
MW550.80 g/mol
LogP4.74
Rot. Bonds5

About 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole

2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole (PubChem CID 144594012) has the molecular formula C35H46N6 and a molecular weight of 550.80 g/mol. Its IUPAC name is 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole
PubChem CID144594012
Molecular FormulaC35H46N6
Molecular Weight550.80 g/mol
Exact Mass550.38
IUPAC Name2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole
SMILESC[C@@H]1CN[C@H](C2NC=C(c3ccc(-c4ccc(C5=CNC([C@@H]6C[C@H](C)CN6)N5)c5c4C4(CCCC4)CC5)cc3)N2)C1
InChIInChI=1S/C35H46N6/c1-21-15-28(36-17-21)33-38-19-30(40-33)24-7-5-23(6-8-24)25-9-10-26(27-11-14-35(32(25)27)12-3-4-13-35)31-20-39-34(41-31)29-16-22(2)18-37-29/h5-10,19-22,28-29,33-34,36-41H,3-4,11-18H2,1-2H3/t21-,22-,28-,29-,33?,34?/m0/s1
InChIKeyUGDVEIHSVGDLFJ-KUKRNABQSA-N
XLogP4.74
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.80
LogP ≤ 54.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole (CID 144594012) is 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole is C[C@@H]1CN[C@H](C2NC=C(c3ccc(-c4ccc(C5=CNC([C@@H]6C[C@H](C)CN6)N5)c5c4C4(CCCC4)CC5)cc3)N2)C1.
What is the InChIKey of 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole?
The InChIKey is UGDVEIHSVGDLFJ-KUKRNABQSA-N. The full InChI is InChI=1S/C35H46N6/c1-21-15-28(36-17-21)33-38-19-30(40-33)24-7-5-23(6-8-24)25-9-10-26(27-11-14-35(32(25)27)12-3-4-13-35)31-20-39-34(41-31)29-16-22(2)18-37-29/h5-10,19-22,28-29,33-34,36-41H,3-4,11-18H2,1-2H3/t21-,22-,28-,29-,33?,34?/m0/s1.
What are the key properties of 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole?
2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole has a molecular weight of 550.80 g/mol, XLogP of 4.74, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-methylpyrrolidin-2-yl]-4-[7-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 144594012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).