[2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone

C22H18N4O2 — CID 155562985

IUPAC[2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone
SMILESCOc1cccc(Nc2ncc(C(=O)c3cccc(-c4cccnc4)c3)[nH]2)c1
InChIInChI=1S/C22H18N4O2/c1-28-19-9-3-8-18(12-19)25-22-24-14-20(26-22)21(27)16-6-2-5-15(11-16)17-7-4-10-23-13-17/h2-14H,1H3,(H2,24,25,26)
InChIKeyFPLPBWGEORSEHM-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.45
Rot. Bonds6

About [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone

[2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone (PubChem CID 155562985) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone
PubChem CID155562985
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name[2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone
SMILESCOc1cccc(Nc2ncc(C(=O)c3cccc(-c4cccnc4)c3)[nH]2)c1
InChIInChI=1S/C22H18N4O2/c1-28-19-9-3-8-18(12-19)25-22-24-14-20(26-22)21(27)16-6-2-5-15(11-16)17-7-4-10-23-13-17/h2-14H,1H3,(H2,24,25,26)
InChIKeyFPLPBWGEORSEHM-UHFFFAOYSA-N
XLogP4.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone?
The IUPAC name of [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone (CID 155562985) is [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone is COc1cccc(Nc2ncc(C(=O)c3cccc(-c4cccnc4)c3)[nH]2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone?
The InChIKey is FPLPBWGEORSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-9-3-8-18(12-19)25-22-24-14-20(26-22)21(27)16-6-2-5-15(11-16)17-7-4-10-23-13-17/h2-14H,1H3,(H2,24,25,26).
What are the key properties of [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone?
[2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone has a molecular weight of 370.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-1H-imidazol-5-yl]-(3-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 155562985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).