4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine

C23H24N6O — CID 95221117

IUPAC4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine
SMILESc1ccc(-c2ncn(C[C@@H](c3ccncc3)N3CCOCC3)c2-c2cnc[nH]2)cc1
InChIInChI=1S/C23H24N6O/c1-2-4-19(5-3-1)22-23(20-14-25-16-26-20)29(17-27-22)15-21(18-6-8-24-9-7-18)28-10-12-30-13-11-28/h1-9,14,16-17,21H,10-13,15H2,(H,25,26)/t21-/m0/s1
InChIKeyIXPYHNTXNMWGIJ-NRFANRHFSA-N
MW400.49 g/mol
LogP3.41
Rot. Bonds6

About 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine

4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine (PubChem CID 95221117) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine.

Molecular Properties

Compound Name4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine
PubChem CID95221117
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine
SMILESc1ccc(-c2ncn(C[C@@H](c3ccncc3)N3CCOCC3)c2-c2cnc[nH]2)cc1
InChIInChI=1S/C23H24N6O/c1-2-4-19(5-3-1)22-23(20-14-25-16-26-20)29(17-27-22)15-21(18-6-8-24-9-7-18)28-10-12-30-13-11-28/h1-9,14,16-17,21H,10-13,15H2,(H,25,26)/t21-/m0/s1
InChIKeyIXPYHNTXNMWGIJ-NRFANRHFSA-N
XLogP3.41
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine?
The IUPAC name of 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine (CID 95221117) is 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine.
What is the SMILES notation for 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine?
The canonical SMILES for 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine is c1ccc(-c2ncn(C[C@@H](c3ccncc3)N3CCOCC3)c2-c2cnc[nH]2)cc1.
What is the InChIKey of 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine?
The InChIKey is IXPYHNTXNMWGIJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-4-19(5-3-1)22-23(20-14-25-16-26-20)29(17-27-22)15-21(18-6-8-24-9-7-18)28-10-12-30-13-11-28/h1-9,14,16-17,21H,10-13,15H2,(H,25,26)/t21-/m0/s1.
What are the key properties of 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine?
4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine has a molecular weight of 400.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine is sourced from PubChem (CID 95221117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).