[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine

C12H17N3O — CID 62441968

IUPAC[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1ncn(Cc2cc(CN)oc2C)c1C
InChIInChI=1S/C12H17N3O/c1-8-9(2)15(7-14-8)6-11-4-12(5-13)16-10(11)3/h4,7H,5-6,13H2,1-3H3
InChIKeyVBCTYZIUOWLBGI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.91
Rot. Bonds3

About [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine

[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine (PubChem CID 62441968) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine
PubChem CID62441968
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1ncn(Cc2cc(CN)oc2C)c1C
InChIInChI=1S/C12H17N3O/c1-8-9(2)15(7-14-8)6-11-4-12(5-13)16-10(11)3/h4,7H,5-6,13H2,1-3H3
InChIKeyVBCTYZIUOWLBGI-UHFFFAOYSA-N
XLogP1.91
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine (CID 62441968) is [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine is Cc1ncn(Cc2cc(CN)oc2C)c1C.
What is the InChIKey of [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine?
The InChIKey is VBCTYZIUOWLBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-9(2)15(7-14-8)6-11-4-12(5-13)16-10(11)3/h4,7H,5-6,13H2,1-3H3.
What are the key properties of [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine?
[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62441968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).