(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine

C23H25N5O2 — CID 71694253

IUPAC(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCOc1cccc(-c2cnc([C@@H]3COCCN3Cc3nc4ccccc4n3C)[nH]2)c1
InChIInChI=1S/C23H25N5O2/c1-27-20-9-4-3-8-18(20)25-22(27)14-28-10-11-30-15-21(28)23-24-13-19(26-23)16-6-5-7-17(12-16)29-2/h3-9,12-13,21H,10-11,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyFXSFBZUNQFBQBZ-NRFANRHFSA-N
MW403.49 g/mol
LogP3.55
Rot. Bonds5

About (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine

(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 71694253) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
PubChem CID71694253
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCOc1cccc(-c2cnc([C@@H]3COCCN3Cc3nc4ccccc4n3C)[nH]2)c1
InChIInChI=1S/C23H25N5O2/c1-27-20-9-4-3-8-18(20)25-22(27)14-28-10-11-30-15-21(28)23-24-13-19(26-23)16-6-5-7-17(12-16)29-2/h3-9,12-13,21H,10-11,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyFXSFBZUNQFBQBZ-NRFANRHFSA-N
XLogP3.55
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine (CID 71694253) is (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine is COc1cccc(-c2cnc([C@@H]3COCCN3Cc3nc4ccccc4n3C)[nH]2)c1.
What is the InChIKey of (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is FXSFBZUNQFBQBZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-20-9-4-3-8-18(20)25-22(27)14-28-10-11-30-15-21(28)23-24-13-19(26-23)16-6-5-7-17(12-16)29-2/h3-9,12-13,21H,10-11,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 71694253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).