[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone

C23H25N3O2 — CID 172505823

IUPAC[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cccc(C(c2cccc(C(=O)N3CCOCC3)c2)c2cnc[nH]2)c1C
InChIInChI=1S/C23H25N3O2/c1-16-5-3-8-20(17(16)2)22(21-14-24-15-25-21)18-6-4-7-19(13-18)23(27)26-9-11-28-12-10-26/h3-8,13-15,22H,9-12H2,1-2H3,(H,24,25)
InChIKeyPQXFLJHXXYDCLU-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.68
Rot. Bonds4

About [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone

[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 172505823) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID172505823
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cccc(C(c2cccc(C(=O)N3CCOCC3)c2)c2cnc[nH]2)c1C
InChIInChI=1S/C23H25N3O2/c1-16-5-3-8-20(17(16)2)22(21-14-24-15-25-21)18-6-4-7-19(13-18)23(27)26-9-11-28-12-10-26/h3-8,13-15,22H,9-12H2,1-2H3,(H,24,25)
InChIKeyPQXFLJHXXYDCLU-UHFFFAOYSA-N
XLogP3.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone (CID 172505823) is [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone is Cc1cccc(C(c2cccc(C(=O)N3CCOCC3)c2)c2cnc[nH]2)c1C.
What is the InChIKey of [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is PQXFLJHXXYDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-5-3-8-20(17(16)2)22(21-14-24-15-25-21)18-6-4-7-19(13-18)23(27)26-9-11-28-12-10-26/h3-8,13-15,22H,9-12H2,1-2H3,(H,24,25).
What are the key properties of [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone?
[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 375.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 172505823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).