(2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine

C35H44N6 — CID 144594293

IUPAC(2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine
SMILESC1=C(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCCN5)[nH]4)c4c3C3(CCCC3)CC4)cc2)NC([C@@H]2CCCCN2)N1
InChIInChI=1S/C35H44N6/c1-5-19-36-28(7-1)33-38-21-30(40-33)24-11-9-23(10-12-24)25-13-14-26(27-15-18-35(32(25)27)16-3-4-17-35)31-22-39-34(41-31)29-8-2-6-20-37-29/h9-14,21-22,28-29,33,36-38,40H,1-8,15-20H2,(H,39,41)/t28-,29-,33?/m0/s1
InChIKeyJVCRDUQDEAMCMY-QXSWOPKKSA-N
MW548.78 g/mol
LogP6.28
Rot. Bonds5

About (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine

(2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine (PubChem CID 144594293) has the molecular formula C35H44N6 and a molecular weight of 548.78 g/mol. Its IUPAC name is (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine
PubChem CID144594293
Molecular FormulaC35H44N6
Molecular Weight548.78 g/mol
Exact Mass548.36
IUPAC Name(2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine
SMILESC1=C(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCCN5)[nH]4)c4c3C3(CCCC3)CC4)cc2)NC([C@@H]2CCCCN2)N1
InChIInChI=1S/C35H44N6/c1-5-19-36-28(7-1)33-38-21-30(40-33)24-11-9-23(10-12-24)25-13-14-26(27-15-18-35(32(25)27)16-3-4-17-35)31-22-39-34(41-31)29-8-2-6-20-37-29/h9-14,21-22,28-29,33,36-38,40H,1-8,15-20H2,(H,39,41)/t28-,29-,33?/m0/s1
InChIKeyJVCRDUQDEAMCMY-QXSWOPKKSA-N
XLogP6.28
TPSA76.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.78
LogP ≤ 56.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine with MolForge

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
CID 90151627
2-pyrrolidin-2-yl-5-[7-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazole
CID 123214802
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
CID 91336043
CID 144634079
CID 144634079
methyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[5-[7-[4-[2-[(2R)-1-[(2S)-2-cyclohexyl-2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 118319206
4-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]spiro[3H-indene-2,1'-cyclopentane]-1-one
CID 90137531
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine?
The IUPAC name of (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine (CID 144594293) is (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine?
The canonical SMILES for (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine is C1=C(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCCN5)[nH]4)c4c3C3(CCCC3)CC4)cc2)NC([C@@H]2CCCCN2)N1.
What is the InChIKey of (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine?
The InChIKey is JVCRDUQDEAMCMY-QXSWOPKKSA-N. The full InChI is InChI=1S/C35H44N6/c1-5-19-36-28(7-1)33-38-21-30(40-33)24-11-9-23(10-12-24)25-13-14-26(27-15-18-35(32(25)27)16-3-4-17-35)31-22-39-34(41-31)29-8-2-6-20-37-29/h9-14,21-22,28-29,33,36-38,40H,1-8,15-20H2,(H,39,41)/t28-,29-,33?/m0/s1.
What are the key properties of (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine?
(2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine has a molecular weight of 548.78 g/mol, XLogP of 6.28, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[7-[4-[2-[(2S)-piperidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 144594293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).