N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine

C13H10Br2N4O — CID 62083420

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
SMILESBrc1cc(CNc2ccc(-n3ccnc3)nc2)oc1Br
InChIInChI=1S/C13H10Br2N4O/c14-11-5-10(20-13(11)15)7-17-9-1-2-12(18-6-9)19-4-3-16-8-19/h1-6,8,17H,7H2
InChIKeyIGBGVRQFBMANGH-UHFFFAOYSA-N
MW398.06 g/mol
LogP4.00
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine

N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine (PubChem CID 62083420) has the molecular formula C13H10Br2N4O and a molecular weight of 398.06 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
PubChem CID62083420
Molecular FormulaC13H10Br2N4O
Molecular Weight398.06 g/mol
Exact Mass395.92
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
SMILESBrc1cc(CNc2ccc(-n3ccnc3)nc2)oc1Br
InChIInChI=1S/C13H10Br2N4O/c14-11-5-10(20-13(11)15)7-17-9-1-2-12(18-6-9)19-4-3-16-8-19/h1-6,8,17H,7H2
InChIKeyIGBGVRQFBMANGH-UHFFFAOYSA-N
XLogP4.00
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.06
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 62084831
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
N-[(4,5-dibromofuran-2-yl)methyl]-3-(imidazol-1-ylmethyl)aniline
CID 62083428
6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 62762109
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine (CID 62083420) is N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine is Brc1cc(CNc2ccc(-n3ccnc3)nc2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine?
The InChIKey is IGBGVRQFBMANGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N4O/c14-11-5-10(20-13(11)15)7-17-9-1-2-12(18-6-9)19-4-3-16-8-19/h1-6,8,17H,7H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine has a molecular weight of 398.06 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine is sourced from PubChem (CID 62083420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).