1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one

C29H35N3O2 — CID 25015934

IUPAC1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
SMILESCOc1ccc(CCN2C(=O)N(NCc3ccccc3)CC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H35N3O2/c1-29(2,3)25-14-12-24(13-15-25)27-21-32(30-20-23-8-6-5-7-9-23)28(33)31(27)19-18-22-10-16-26(34-4)17-11-22/h5-17,27,30H,18-21H2,1-4H3
InChIKeyUNENWHKEIQELAJ-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.72
Rot. Bonds8

About 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one

1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one (PubChem CID 25015934) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
PubChem CID25015934
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
SMILESCOc1ccc(CCN2C(=O)N(NCc3ccccc3)CC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H35N3O2/c1-29(2,3)25-14-12-24(13-15-25)27-21-32(30-20-23-8-6-5-7-9-23)28(33)31(27)19-18-22-10-16-26(34-4)17-11-22/h5-17,27,30H,18-21H2,1-4H3
InChIKeyUNENWHKEIQELAJ-UHFFFAOYSA-N
XLogP5.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one (CID 25015934) is 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one is COc1ccc(CCN2C(=O)N(NCc3ccccc3)CC2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one?
The InChIKey is UNENWHKEIQELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-29(2,3)25-14-12-24(13-15-25)27-21-32(30-20-23-8-6-5-7-9-23)28(33)31(27)19-18-22-10-16-26(34-4)17-11-22/h5-17,27,30H,18-21H2,1-4H3.
What are the key properties of 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one?
1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one has a molecular weight of 457.62 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 25015934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).