4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline

C16H16BrN3O — CID 43758801

IUPAC4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(c1ccco1)c1nccn1C
InChIInChI=1S/C16H16BrN3O/c1-11-10-12(17)5-6-13(11)19-15(14-4-3-9-21-14)16-18-7-8-20(16)2/h3-10,15,19H,1-2H3
InChIKeyBWEBAONZXYQRHF-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.29
Rot. Bonds4

About 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline

4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline (PubChem CID 43758801) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
PubChem CID43758801
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(c1ccco1)c1nccn1C
InChIInChI=1S/C16H16BrN3O/c1-11-10-12(17)5-6-13(11)19-15(14-4-3-9-21-14)16-18-7-8-20(16)2/h3-10,15,19H,1-2H3
InChIKeyBWEBAONZXYQRHF-UHFFFAOYSA-N
XLogP4.29
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
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
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
N-(4-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 106556434
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
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
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 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline (CID 43758801) is 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline is Cc1cc(Br)ccc1NC(c1ccco1)c1nccn1C.
What is the InChIKey of 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
The InChIKey is BWEBAONZXYQRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-11-10-12(17)5-6-13(11)19-15(14-4-3-9-21-14)16-18-7-8-20(16)2/h3-10,15,19H,1-2H3.
What are the key properties of 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline has a molecular weight of 346.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 43758801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).