2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline

C15H13Br2N3O — CID 43780865

IUPAC2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(Nc1ccc(Br)cc1Br)c1ccco1
InChIInChI=1S/C15H13Br2N3O/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-5-4-10(16)9-11(12)17/h2-9,14,19H,1H3
InChIKeyAOEBTHMGXOGGCJ-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.74
Rot. Bonds4

About 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline

2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43780865) has the molecular formula C15H13Br2N3O and a molecular weight of 411.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43780865
Molecular FormulaC15H13Br2N3O
Molecular Weight411.10 g/mol
Exact Mass408.94
IUPAC Name2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(Nc1ccc(Br)cc1Br)c1ccco1
InChIInChI=1S/C15H13Br2N3O/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-5-4-10(16)9-11(12)17/h2-9,14,19H,1H3
InChIKeyAOEBTHMGXOGGCJ-UHFFFAOYSA-N
XLogP4.74
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline 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-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758801
2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 103478663
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758594
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
CID 43776859
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 43762493
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline (CID 43780865) is 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1C(Nc1ccc(Br)cc1Br)c1ccco1.
What is the InChIKey of 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is AOEBTHMGXOGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-5-4-10(16)9-11(12)17/h2-9,14,19H,1H3.
What are the key properties of 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 411.10 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43780865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).