[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]adamantane-2-carboxamide
CID 172505517
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-1-(oxan-2-yl)methanesulfonamide
CID 172505832
3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane
CID 176560130
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
N-[2,6-di(propan-2-yl)phenyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103857
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322

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).