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

C32H34N6 — CID 66982310

IUPAC2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
SMILESC[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc5cc(-c6cnc([C@@H]7CC[C@H](C)N7)[nH]6)ccc5c4)cc3)[nH]2)N1
InChIInChI=1S/C32H34N6/c1-19-3-13-27(35-19)31-33-17-29(37-31)22-7-5-21(6-8-22)23-9-10-25-16-26(12-11-24(25)15-23)30-18-34-32(38-30)28-14-4-20(2)36-28/h5-12,15-20,27-28,35-36H,3-4,13-14H2,1-2H3,(H,33,37)(H,34,38)/t19-,20-,27-,28-/m0/s1
InChIKeyFAVFOHHEPIRFRQ-DXBSEXLMSA-N
MW502.67 g/mol
LogP6.91
Rot. Bonds5

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

2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole (PubChem CID 66982310) has the molecular formula C32H34N6 and a molecular weight of 502.67 g/mol. Its IUPAC name is 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
PubChem CID66982310
Molecular FormulaC32H34N6
Molecular Weight502.67 g/mol
Exact Mass502.28
IUPAC Name2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
SMILESC[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc5cc(-c6cnc([C@@H]7CC[C@H](C)N7)[nH]6)ccc5c4)cc3)[nH]2)N1
InChIInChI=1S/C32H34N6/c1-19-3-13-27(35-19)31-33-17-29(37-31)22-7-5-21(6-8-22)23-9-10-25-16-26(12-11-24(25)15-23)30-18-34-32(38-30)28-14-4-20(2)36-28/h5-12,15-20,27-28,35-36H,3-4,13-14H2,1-2H3,(H,33,37)(H,34,38)/t19-,20-,27-,28-/m0/s1
InChIKeyFAVFOHHEPIRFRQ-DXBSEXLMSA-N
XLogP6.91
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 56.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole (CID 66982310) is 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole is C[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc5cc(-c6cnc([C@@H]7CC[C@H](C)N7)[nH]6)ccc5c4)cc3)[nH]2)N1.
What is the InChIKey of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
The InChIKey is FAVFOHHEPIRFRQ-DXBSEXLMSA-N. The full InChI is InChI=1S/C32H34N6/c1-19-3-13-27(35-19)31-33-17-29(37-31)22-7-5-21(6-8-22)23-9-10-25-16-26(12-11-24(25)15-23)30-18-34-32(38-30)28-14-4-20(2)36-28/h5-12,15-20,27-28,35-36H,3-4,13-14H2,1-2H3,(H,33,37)(H,34,38)/t19-,20-,27-,28-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole has a molecular weight of 502.67 g/mol, XLogP of 6.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 66982310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).