5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H25N5O — CID 70782242

IUPAC5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1Cc1cc(C)c(C)o1
InChIInChI=1S/C19H25N5O/c1-4-7-23-9-6-20-19(23)18-17-16(21-12-22-17)5-8-24(18)11-15-10-13(2)14(3)25-15/h6,9-10,12,18H,4-5,7-8,11H2,1-3H3,(H,21,22)
InChIKeyPIAWNPKXDVACNI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.37
Rot. Bonds5

About 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 70782242) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID70782242
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1Cc1cc(C)c(C)o1
InChIInChI=1S/C19H25N5O/c1-4-7-23-9-6-20-19(23)18-17-16(21-12-22-17)5-8-24(18)11-15-10-13(2)14(3)25-15/h6,9-10,12,18H,4-5,7-8,11H2,1-3H3,(H,21,22)
InChIKeyPIAWNPKXDVACNI-UHFFFAOYSA-N
XLogP3.37
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 70782242) is 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1ccnc1C1c2nc[nH]c2CCN1Cc1cc(C)c(C)o1.
What is the InChIKey of 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PIAWNPKXDVACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-7-23-9-6-20-19(23)18-17-16(21-12-22-17)5-8-24(18)11-15-10-13(2)14(3)25-15/h6,9-10,12,18H,4-5,7-8,11H2,1-3H3,(H,21,22).
What are the key properties of 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 339.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 70782242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).