4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide

C12H15N3O2 — CID 67316912

IUPAC4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide
SMILESCCCc1c(C(N)=O)oc(C)c1-c1ncc[nH]1
InChIInChI=1S/C12H15N3O2/c1-3-4-8-9(12-14-5-6-15-12)7(2)17-10(8)11(13)16/h5-6H,3-4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyCLCNZFSJDGGCCF-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.03
Rot. Bonds4

About 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide

4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide (PubChem CID 67316912) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide
PubChem CID67316912
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide
SMILESCCCc1c(C(N)=O)oc(C)c1-c1ncc[nH]1
InChIInChI=1S/C12H15N3O2/c1-3-4-8-9(12-14-5-6-15-12)7(2)17-10(8)11(13)16/h5-6H,3-4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyCLCNZFSJDGGCCF-UHFFFAOYSA-N
XLogP2.03
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide?
The IUPAC name of 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide (CID 67316912) is 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide?
The canonical SMILES for 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide is CCCc1c(C(N)=O)oc(C)c1-c1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide?
The InChIKey is CLCNZFSJDGGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-8-9(12-14-5-6-15-12)7(2)17-10(8)11(13)16/h5-6H,3-4H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide?
4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-5-methyl-3-propylfuran-2-carboxamide is sourced from PubChem (CID 67316912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).