(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C20H25N3O2 — CID 110016711

IUPAC(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1CCCC1O)N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c24-19-8-4-7-16(19)20(25)22-12-10-18-17(13-22)21-14-23(18)11-9-15-5-2-1-3-6-15/h1-3,5-6,14,16,19,24H,4,7-13H2
InChIKeyHIDPSAUPKWGYLW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.17
Rot. Bonds4

About (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 110016711) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID110016711
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1CCCC1O)N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c24-19-8-4-7-16(19)20(25)22-12-10-18-17(13-22)21-14-23(18)11-9-15-5-2-1-3-6-15/h1-3,5-6,14,16,19,24H,4,7-13H2
InChIKeyHIDPSAUPKWGYLW-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 110016711) is (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is O=C(C1CCCC1O)N1CCc2c(ncn2CCc2ccccc2)C1.
What is the InChIKey of (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HIDPSAUPKWGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19-8-4-7-16(19)20(25)22-12-10-18-17(13-22)21-14-23(18)11-9-15-5-2-1-3-6-15/h1-3,5-6,14,16,19,24H,4,7-13H2.
What are the key properties of (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 110016711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).