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

C33H48N6 — CID 123749507

IUPAC2-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
SMILESc1cc(C2CCC(C3=NC(C4CCCN4)NC3)CC2)c2c(c1C1=NC(C3CCCN3)NC1)CCC21CCCC1
InChIInChI=1S/C33H48N6/c1-2-15-33(14-1)16-13-25-24(29-20-37-32(39-29)27-6-4-18-35-27)12-11-23(30(25)33)21-7-9-22(10-8-21)28-19-36-31(38-28)26-5-3-17-34-26/h11-12,21-22,26-27,31-32,34-37H,1-10,13-20H2
InChIKeyKSHFKLOPQFZJQS-UHFFFAOYSA-N
MW528.79 g/mol
LogP4.31
Rot. Bonds5

About 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

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 (PubChem CID 123749507) has the molecular formula C33H48N6 and a molecular weight of 528.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID123749507
Molecular FormulaC33H48N6
Molecular Weight528.79 g/mol
Exact Mass528.39
IUPAC Name2-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
SMILESc1cc(C2CCC(C3=NC(C4CCCN4)NC3)CC2)c2c(c1C1=NC(C3CCCN3)NC1)CCC21CCCC1
InChIInChI=1S/C33H48N6/c1-2-15-33(14-1)16-13-25-24(29-20-37-32(39-29)27-6-4-18-35-27)12-11-23(30(25)33)21-7-9-22(10-8-21)28-19-36-31(38-28)26-5-3-17-34-26/h11-12,21-22,26-27,31-32,34-37H,1-10,13-20H2
InChIKeyKSHFKLOPQFZJQS-UHFFFAOYSA-N
XLogP4.31
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.79
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
N-(2-azabicyclo[3.1.0]hexan-3-ylmethyl)-1-[4-[7-[4-[2-(2-azabicyclo[3.1.0]hex-5-en-3-yl)-2,5-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3,5,6-tetrahydroindene-1,1'-cyclopentane]-4-yl]cyclohexa-1,3-dien-1-yl]ethanimine
CID 123676012
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-[(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
2-[(2S)-pyrrolidin-2-yl]-4-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-3H-pyrrole
CID 157877359
2-pyrrolidin-2-yl-4-[6-[4-(2-pyrrolidin-2-yl-3H-pyrrol-4-yl)phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-3H-pyrrole
CID 160499253
2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole
CID 161155782

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(C2CCC(C3=NC(C4CCCN4)NC3)CC2)c2c(c1C1=NC(C3CCCN3)NC1)CCC21CCCC1.
What is the InChIKey of 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?
The InChIKey is KSHFKLOPQFZJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N6/c1-2-15-33(14-1)16-13-25-24(29-20-37-32(39-29)27-6-4-18-35-27)12-11-23(30(25)33)21-7-9-22(10-8-21)28-19-36-31(38-28)26-5-3-17-34-26/h11-12,21-22,26-27,31-32,34-37H,1-10,13-20H2.
What are the key properties of 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?
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 has a molecular weight of 528.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123749507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).