1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one

C18H21ClN4O — CID 71928609

IUPAC1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C(NCC2CCCn3ccnc32)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN4O/c19-14-3-5-15(6-4-14)23-10-7-16(18(23)24)21-12-13-2-1-9-22-11-8-20-17(13)22/h3-6,8,11,13,16,21H,1-2,7,9-10,12H2
InChIKeyITIZHHVIIPPHGL-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one

1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one (PubChem CID 71928609) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one
PubChem CID71928609
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C(NCC2CCCn3ccnc32)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN4O/c19-14-3-5-15(6-4-14)23-10-7-16(18(23)24)21-12-13-2-1-9-22-11-8-20-17(13)22/h3-6,8,11,13,16,21H,1-2,7,9-10,12H2
InChIKeyITIZHHVIIPPHGL-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one (CID 71928609) is 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one is O=C1C(NCC2CCCn3ccnc32)CCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one?
The InChIKey is ITIZHHVIIPPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-3-5-15(6-4-14)23-10-7-16(18(23)24)21-12-13-2-1-9-22-11-8-20-17(13)22/h3-6,8,11,13,16,21H,1-2,7,9-10,12H2.
What are the key properties of 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one?
1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one has a molecular weight of 344.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 71928609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).