4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine

C12H18N4O — CID 115000740

IUPAC4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(NC(C)c2cc(C)oc2C)c(N)[nH]1
InChIInChI=1S/C12H18N4O/c1-6-5-10(8(3)17-6)7(2)14-12-11(13)15-9(4)16-12/h5,7,14H,13H2,1-4H3,(H,15,16)
InChIKeyIBORAXXXKAFEFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.68
Rot. Bonds3

About 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine

4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 115000740) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
PubChem CID115000740
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(NC(C)c2cc(C)oc2C)c(N)[nH]1
InChIInChI=1S/C12H18N4O/c1-6-5-10(8(3)17-6)7(2)14-12-11(13)15-9(4)16-12/h5,7,14H,13H2,1-4H3,(H,15,16)
InChIKeyIBORAXXXKAFEFJ-UHFFFAOYSA-N
XLogP2.68
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
CID 82237135
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
CID 103468095
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138254
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80792924
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975120
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80814407
3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
CID 55145854

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine (CID 115000740) is 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine is Cc1nc(NC(C)c2cc(C)oc2C)c(N)[nH]1.
What is the InChIKey of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is IBORAXXXKAFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-6-5-10(8(3)17-6)7(2)14-12-11(13)15-9(4)16-12/h5,7,14H,13H2,1-4H3,(H,15,16).
What are the key properties of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine?
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 234.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 115000740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).