5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H20N4O — CID 56895048

IUPAC5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(C2c3nc[nH]c3CCN2Cc2ccco2)cc2ccccc21
InChIInChI=1S/C20H20N4O/c1-23-17-7-3-2-5-14(17)11-18(23)20-19-16(21-13-22-19)8-9-24(20)12-15-6-4-10-25-15/h2-7,10-11,13,20H,8-9,12H2,1H3,(H,21,22)
InChIKeyQFADXKIGBRMYKC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.64
Rot. Bonds3

About 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56895048) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56895048
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(C2c3nc[nH]c3CCN2Cc2ccco2)cc2ccccc21
InChIInChI=1S/C20H20N4O/c1-23-17-7-3-2-5-14(17)11-18(23)20-19-16(21-13-22-19)8-9-24(20)12-15-6-4-10-25-15/h2-7,10-11,13,20H,8-9,12H2,1H3,(H,21,22)
InChIKeyQFADXKIGBRMYKC-UHFFFAOYSA-N
XLogP3.64
TPSA49.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56895048) is 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1c(C2c3nc[nH]c3CCN2Cc2ccco2)cc2ccccc21.
What is the InChIKey of 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QFADXKIGBRMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-23-17-7-3-2-5-14(17)11-18(23)20-19-16(21-13-22-19)8-9-24(20)12-15-6-4-10-25-15/h2-7,10-11,13,20H,8-9,12H2,1H3,(H,21,22).
What are the key properties of 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 332.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).