1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one

C20H22N4O3 — CID 59636174

IUPAC1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one
SMILESCc1ccncc1N1CCN(c2ccc3c(c2)C(C)(C)C(=O)N3CO)C1=O
InChIInChI=1S/C20H22N4O3/c1-13-6-7-21-11-17(13)23-9-8-22(19(23)27)14-4-5-16-15(10-14)20(2,3)18(26)24(16)12-25/h4-7,10-11,25H,8-9,12H2,1-3H3
InChIKeyNAKSEUXFDSOCJN-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.41
Rot. Bonds3

About 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one

1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one (PubChem CID 59636174) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one
PubChem CID59636174
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one
SMILESCc1ccncc1N1CCN(c2ccc3c(c2)C(C)(C)C(=O)N3CO)C1=O
InChIInChI=1S/C20H22N4O3/c1-13-6-7-21-11-17(13)23-9-8-22(19(23)27)14-4-5-16-15(10-14)20(2,3)18(26)24(16)12-25/h4-7,10-11,25H,8-9,12H2,1-3H3
InChIKeyNAKSEUXFDSOCJN-UHFFFAOYSA-N
XLogP2.41
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one?
The IUPAC name of 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one (CID 59636174) is 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one?
The canonical SMILES for 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one is Cc1ccncc1N1CCN(c2ccc3c(c2)C(C)(C)C(=O)N3CO)C1=O.
What is the InChIKey of 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one?
The InChIKey is NAKSEUXFDSOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-6-7-21-11-17(13)23-9-8-22(19(23)27)14-4-5-16-15(10-14)20(2,3)18(26)24(16)12-25/h4-7,10-11,25H,8-9,12H2,1-3H3.
What are the key properties of 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one?
1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,3-dimethyl-5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]indol-2-one is sourced from PubChem (CID 59636174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).