[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol

C24H22ClN3O — CID 121309786

IUPAC[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
SMILESOC(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)C1CCCN1
InChIInChI=1S/C24H22ClN3O/c25-19-11-8-17(9-12-19)22-23(24(29)20-7-4-14-26-20)28-15-18(10-13-21(28)27-22)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,20,24,26,29H,4,7,14H2
InChIKeyIEYYQDNXXXURNS-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.11
Rot. Bonds4

About [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol

[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol (PubChem CID 121309786) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
PubChem CID121309786
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
SMILESOC(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)C1CCCN1
InChIInChI=1S/C24H22ClN3O/c25-19-11-8-17(9-12-19)22-23(24(29)20-7-4-14-26-20)28-15-18(10-13-21(28)27-22)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,20,24,26,29H,4,7,14H2
InChIKeyIEYYQDNXXXURNS-UHFFFAOYSA-N
XLogP5.11
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
The IUPAC name of [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol (CID 121309786) is [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol.
What is the SMILES notation for [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
The canonical SMILES for [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol is OC(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)C1CCCN1.
What is the InChIKey of [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
The InChIKey is IEYYQDNXXXURNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-19-11-8-17(9-12-19)22-23(24(29)20-7-4-14-26-20)28-15-18(10-13-21(28)27-22)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,20,24,26,29H,4,7,14H2.
What are the key properties of [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol has a molecular weight of 403.91 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 121309786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).