2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

C26H24N6 — CID 86577868

IUPAC2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
SMILESC1=C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C=CCN6)[nH]5)cc4)cc3)[nH]2)NC1
InChIInChI=1S/C26H24N6/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22/h1-12,15-16,21-22,27-28H,13-14H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1
InChIKeyGUDQVEGBXIEKBK-VXKWHMMOSA-N
MW420.52 g/mol
LogP4.53
Rot. Bonds5

About 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (PubChem CID 86577868) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
PubChem CID86577868
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
SMILESC1=C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C=CCN6)[nH]5)cc4)cc3)[nH]2)NC1
InChIInChI=1S/C26H24N6/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22/h1-12,15-16,21-22,27-28H,13-14H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1
InChIKeyGUDQVEGBXIEKBK-VXKWHMMOSA-N
XLogP4.53
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (CID 86577868) is 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is C1=C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C=CCN6)[nH]5)cc4)cc3)[nH]2)NC1.
What is the InChIKey of 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The InChIKey is GUDQVEGBXIEKBK-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H24N6/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22/h1-12,15-16,21-22,27-28H,13-14H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1.
What are the key properties of 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole has a molecular weight of 420.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-5-[4-[4-[2-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 86577868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).