2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole

C22H28N6 — CID 67003843

IUPAC2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
SMILESc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1CCc1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C22H28N6/c1-3-18(23-11-1)21-25-13-17(27-21)10-7-15-5-8-16(9-6-15)20-14-26-22(28-20)19-4-2-12-24-19/h5-6,8-9,13-14,18-19,23-24H,1-4,7,10-12H2,(H,25,27)(H,26,28)/t18-,19-/m0/s1
InChIKeyMTCJEVAMBYESOT-OALUTQOASA-N
MW376.51 g/mol
LogP3.43
Rot. Bonds6

About 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole

2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole (PubChem CID 67003843) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
PubChem CID67003843
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
SMILESc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1CCc1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C22H28N6/c1-3-18(23-11-1)21-25-13-17(27-21)10-7-15-5-8-16(9-6-15)20-14-26-22(28-20)19-4-2-12-24-19/h5-6,8-9,13-14,18-19,23-24H,1-4,7,10-12H2,(H,25,27)(H,26,28)/t18-,19-/m0/s1
InChIKeyMTCJEVAMBYESOT-OALUTQOASA-N
XLogP3.43
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole (CID 67003843) is 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole is c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1CCc1cnc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole?
The InChIKey is MTCJEVAMBYESOT-OALUTQOASA-N. The full InChI is InChI=1S/C22H28N6/c1-3-18(23-11-1)21-25-13-17(27-21)10-7-15-5-8-16(9-6-15)20-14-26-22(28-20)19-4-2-12-24-19/h5-6,8-9,13-14,18-19,23-24H,1-4,7,10-12H2,(H,25,27)(H,26,28)/t18-,19-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole?
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole has a molecular weight of 376.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole is sourced from PubChem (CID 67003843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).