1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one

C23H28ClN5O3 — CID 140914694

IUPAC1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(CCCN(C)C)C4=O)cc3n2)cc1Cl
InChIInChI=1S/C23H28ClN5O3/c1-26(2)6-4-7-27-9-10-29(23(27)31)17-5-8-28-14-20(25-22(28)12-17)18-13-19(24)21(32-3)11-16(18)15-30/h5,8,11-14,30H,4,6-7,9-10,15H2,1-3H3
InChIKeyVGXKWPYWHAEEJF-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.35
Rot. Bonds8

About 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one

1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one (PubChem CID 140914694) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one
PubChem CID140914694
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC Name1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(CCCN(C)C)C4=O)cc3n2)cc1Cl
InChIInChI=1S/C23H28ClN5O3/c1-26(2)6-4-7-27-9-10-29(23(27)31)17-5-8-28-14-20(25-22(28)12-17)18-13-19(24)21(32-3)11-16(18)15-30/h5,8,11-14,30H,4,6-7,9-10,15H2,1-3H3
InChIKeyVGXKWPYWHAEEJF-UHFFFAOYSA-N
XLogP3.35
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one (CID 140914694) is 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one is COc1cc(CO)c(-c2cn3ccc(N4CCN(CCCN(C)C)C4=O)cc3n2)cc1Cl.
What is the InChIKey of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one?
The InChIKey is VGXKWPYWHAEEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-26(2)6-4-7-27-9-10-29(23(27)31)17-5-8-28-14-20(25-22(28)12-17)18-13-19(24)21(32-3)11-16(18)15-30/h5,8,11-14,30H,4,6-7,9-10,15H2,1-3H3.
What are the key properties of 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one?
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one has a molecular weight of 457.96 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-[3-(dimethylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 140914694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).