3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C20H25N3O — CID 164688938

IUPAC3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C20H25N3O/c24-19(11-10-15-6-4-5-7-15)23-12-17(16-8-2-1-3-9-16)20-18(13-23)21-14-22-20/h1-3,8-9,14-15,17H,4-7,10-13H2,(H,21,22)
InChIKeyDLHZCEYPGXGHPU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.85
Rot. Bonds4

About 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 164688938) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID164688938
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C20H25N3O/c24-19(11-10-15-6-4-5-7-15)23-12-17(16-8-2-1-3-9-16)20-18(13-23)21-14-22-20/h1-3,8-9,14-15,17H,4-7,10-13H2,(H,21,22)
InChIKeyDLHZCEYPGXGHPU-UHFFFAOYSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 164688938) is 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is O=C(CCC1CCCC1)N1Cc2[nH]cnc2C(c2ccccc2)C1.
What is the InChIKey of 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is DLHZCEYPGXGHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-19(11-10-15-6-4-5-7-15)23-12-17(16-8-2-1-3-9-16)20-18(13-23)21-14-22-20/h1-3,8-9,14-15,17H,4-7,10-13H2,(H,21,22).
What are the key properties of 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 164688938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).