2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one

C26H27F3N4O2 — CID 15347011

IUPAC2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3c(NCCCCCCn4ccnc4)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C26H27F3N4O2/c1-32(2)21-8-7-17(13-18(21)27)23-15-22(34)24-25(19(28)14-20(29)26(24)35-23)31-9-5-3-4-6-11-33-12-10-30-16-33/h7-8,10,12-16,31H,3-6,9,11H2,1-2H3
InChIKeyOPBCNMUMGVPJGB-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.81
Rot. Bonds10

About 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one

2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one (PubChem CID 15347011) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one
PubChem CID15347011
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3c(NCCCCCCn4ccnc4)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C26H27F3N4O2/c1-32(2)21-8-7-17(13-18(21)27)23-15-22(34)24-25(19(28)14-20(29)26(24)35-23)31-9-5-3-4-6-11-33-12-10-30-16-33/h7-8,10,12-16,31H,3-6,9,11H2,1-2H3
InChIKeyOPBCNMUMGVPJGB-UHFFFAOYSA-N
XLogP5.81
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one 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

4-Imidazol-1-ylmethyl-1-nitro-xanthen-9-one
CID 2238
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(3R)-3-hydroxy-4-imidazol-1-ylbutoxy]benzamide
CID 57624960
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
CID 24688110
2-(3-Imidazol-1-ylpropylamino)xanthone
CID 24794049
3-(3-Imidazol-1-ylpropylamino)xanthen-9-one
CID 24794286
N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 24982094
N-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-4-(1Himidazol-1-yl)benzamide
CID 44589130
N-[4-[4-(3-(2-Fluoroethoxy)phenyl)piperazin-1-yl]butyl]-4-(1H-imidazol-1-yl)benzamide
CID 44589179
N-[4-[4-(3-Fluoro-5-methoxyphenyl)piperazin-1-yl]butyl]-4-(1H-imidazol-1-yl)benzamide
CID 44589377
7-Anilino-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 51356253
N-(5-fluoro-9-oxoxanthen-3-yl)-1-methylimidazole-2-carboxamide
CID 168282882
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide
CID 18112923

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one (CID 15347011) is 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one is CN(C)c1ccc(-c2cc(=O)c3c(NCCCCCCn4ccnc4)c(F)cc(F)c3o2)cc1F.
What is the InChIKey of 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one?
The InChIKey is OPBCNMUMGVPJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-32(2)21-8-7-17(13-18(21)27)23-15-22(34)24-25(19(28)14-20(29)26(24)35-23)31-9-5-3-4-6-11-33-12-10-30-16-33/h7-8,10,12-16,31H,3-6,9,11H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one?
2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one has a molecular weight of 484.52 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-3-fluorophenyl]-6,8-difluoro-5-(6-imidazol-1-ylhexylamino)chromen-4-one is sourced from PubChem (CID 15347011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).