2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

C13H19N3O — CID 114708092

IUPAC2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)c1ccco1
InChIInChI=1S/C13H19N3O/c1-10(11-6-5-7-17-11)16-9-15-8-12(16)13(2,3)14-4/h5-10,14H,1-4H3
InChIKeyPWYALKDPYXAQLH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708092) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708092
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)c1ccco1
InChIInChI=1S/C13H19N3O/c1-10(11-6-5-7-17-11)16-9-15-8-12(16)13(2,3)14-4/h5-10,14H,1-4H3
InChIKeyPWYALKDPYXAQLH-UHFFFAOYSA-N
XLogP2.54
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708183
N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
CID 114708037
N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
CID 114708442
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708064
3-[1-(furan-2-yl)ethyl]benzimidazole-5-carboxylic acid
CID 82790460
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine
CID 7289531
2-[1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine
CID 3154165
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
CID 114708466

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708092) is 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1C(C)c1ccco1.
What is the InChIKey of 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is PWYALKDPYXAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-6-5-7-17-11)16-9-15-8-12(16)13(2,3)14-4/h5-10,14H,1-4H3.
What are the key properties of 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).