1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine

C19H21N3O — CID 126801465

IUPAC1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
SMILESc1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)cc1
InChIInChI=1S/C19H21N3O/c1-2-6-15(7-3-1)18-10-9-17(23-18)14-20-12-16-13-21-19-8-4-5-11-22(16)19/h1-3,6-7,9-10,13,20H,4-5,8,11-12,14H2
InChIKeyKPGPFZGHWZKZFR-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.77
Rot. Bonds5

About 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine

1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine (PubChem CID 126801465) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
PubChem CID126801465
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
SMILESc1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)cc1
InChIInChI=1S/C19H21N3O/c1-2-6-15(7-3-1)18-10-9-17(23-18)14-20-12-16-13-21-19-8-4-5-11-22(16)19/h1-3,6-7,9-10,13,20H,4-5,8,11-12,14H2
InChIKeyKPGPFZGHWZKZFR-UHFFFAOYSA-N
XLogP3.77
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine (CID 126801465) is 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine is c1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)cc1.
What is the InChIKey of 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is KPGPFZGHWZKZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-6-15(7-3-1)18-10-9-17(23-18)14-20-12-16-13-21-19-8-4-5-11-22(16)19/h1-3,6-7,9-10,13,20H,4-5,8,11-12,14H2.
What are the key properties of 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 307.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 126801465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).