(2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide

C11H13N3O2 — CID 56866100

IUPAC(2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide
SMILESCc1ccc(-c2nccn2[C@@H](C)C(N)=O)o1
InChIInChI=1S/C11H13N3O2/c1-7-3-4-9(16-7)11-13-5-6-14(11)8(2)10(12)15/h3-6,8H,1-2H3,(H2,12,15)/t8-/m0/s1
InChIKeyINKJSZCGSAPQDN-QMMMGPOBSA-N
MW219.24 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide

(2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide (PubChem CID 56866100) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide
PubChem CID56866100
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide
SMILESCc1ccc(-c2nccn2[C@@H](C)C(N)=O)o1
InChIInChI=1S/C11H13N3O2/c1-7-3-4-9(16-7)11-13-5-6-14(11)8(2)10(12)15/h3-6,8H,1-2H3,(H2,12,15)/t8-/m0/s1
InChIKeyINKJSZCGSAPQDN-QMMMGPOBSA-N
XLogP1.50
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide?
The IUPAC name of (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide (CID 56866100) is (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide?
The canonical SMILES for (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide is Cc1ccc(-c2nccn2[C@@H](C)C(N)=O)o1.
What is the InChIKey of (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide?
The InChIKey is INKJSZCGSAPQDN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-3-4-9(16-7)11-13-5-6-14(11)8(2)10(12)15/h3-6,8H,1-2H3,(H2,12,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide?
(2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide has a molecular weight of 219.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(5-methylfuran-2-yl)imidazol-1-yl]propanamide is sourced from PubChem (CID 56866100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).