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

C28H27N5O2 — CID 11612403

IUPAC1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one
SMILESO=c1n(-c2ccc(Oc3ccccc3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H27N5O2/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/h1-3,6-13,17-18,20-21H,4-5,14-16,19H2
InChIKeyKJCQYSICJWKIHX-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.87
Rot. Bonds7

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

1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one (PubChem CID 11612403) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one
PubChem CID11612403
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one
SMILESO=c1n(-c2ccc(Oc3ccccc3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C28H27N5O2/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/h1-3,6-13,17-18,20-21H,4-5,14-16,19H2
InChIKeyKJCQYSICJWKIHX-UHFFFAOYSA-N
XLogP4.87
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one?
The IUPAC name of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one (CID 11612403) is 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one is O=c1n(-c2ccc(Oc3ccccc3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one?
The InChIKey is KJCQYSICJWKIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/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/h1-3,6-13,17-18,20-21H,4-5,14-16,19H2.
What are the key properties of 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one?
1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one has a molecular weight of 465.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]imidazol-2-one is sourced from PubChem (CID 11612403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).