1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one

C28H29N5O2 — CID 11518384

IUPAC1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one
SMILESO=C1N(c2ccc(Oc3ccccc3)cc2)CCN1c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H29N5O2/c34-28-31(23-8-11-26(12-9-23)35-25-6-2-1-3-7-25)17-18-32(28)24-10-13-27-22(20-24)21-29-33(27)19-16-30-14-4-5-15-30/h1-3,6-13,20-21H,4-5,14-19H2
InChIKeyDYWKKARJVZJMJV-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.37
Rot. Bonds7

About 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one

1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one (PubChem CID 11518384) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one
PubChem CID11518384
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one
SMILESO=C1N(c2ccc(Oc3ccccc3)cc2)CCN1c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H29N5O2/c34-28-31(23-8-11-26(12-9-23)35-25-6-2-1-3-7-25)17-18-32(28)24-10-13-27-22(20-24)21-29-33(27)19-16-30-14-4-5-15-30/h1-3,6-13,20-21H,4-5,14-19H2
InChIKeyDYWKKARJVZJMJV-UHFFFAOYSA-N
XLogP5.37
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11270984
2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11351174
1-(2-{5-[3-(4-Phenoxy-phenyl)-ureido]-indazol-1-yl}-ethyl)-piperidine-4-carboxylic acid amide
CID 11386451
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11396908
1-{1-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
CID 11397595
N-(4-phenoxyphenyl)-N''-[1-(2-piperidin-1-ylethyl)-1H-indazol-5-yl]urea
CID 11408441
N-(4-phenoxyphenyl)-N'-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]urea
CID 11419337
N-(4-phenoxyphenyl)-N'-[2-(2-pyrrolidin-1-ylethyl)-2H-indazol-5-yl]urea
CID 11419338
N-(4-phenoxyphenyl)-N''-[1-(2-azepan-1-yl-ethyl)-1H-indazol-5-yl]urea
CID 11442761
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11454184
1-(4-Benzyloxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11518159
1-(4-Phenoxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-1,3-dihydro-imidazol-2-one
CID 11612403

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one?
The IUPAC name of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one (CID 11518384) is 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one is O=C1N(c2ccc(Oc3ccccc3)cc2)CCN1c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one?
The InChIKey is DYWKKARJVZJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c34-28-31(23-8-11-26(12-9-23)35-25-6-2-1-3-7-25)17-18-32(28)24-10-13-27-22(20-24)21-29-33(27)19-16-30-14-4-5-15-30/h1-3,6-13,20-21H,4-5,14-19H2.
What are the key properties of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one?
1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one has a molecular weight of 467.57 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 11518384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).