3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide

C27H27N5O3 — CID 178109308

IUPAC3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCc1c(-c2ccc(N3CCN(C)C3=O)cc2)cccc1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C27H27N5O3/c1-18-23(19-9-11-21(12-10-19)30-14-13-29(2)26(30)34)7-4-8-24(18)32-16-15-31(27(32)35)22-6-3-5-20(17-22)25(28)33/h3-12,17H,13-16H2,1-2H3,(H2,28,33)
InChIKeyMQIGTWHEUSWRRH-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.08
Rot. Bonds5

About 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide

3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109308) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
PubChem CID178109308
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCc1c(-c2ccc(N3CCN(C)C3=O)cc2)cccc1N1CCN(c2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C27H27N5O3/c1-18-23(19-9-11-21(12-10-19)30-14-13-29(2)26(30)34)7-4-8-24(18)32-16-15-31(27(32)35)22-6-3-5-20(17-22)25(28)33/h3-12,17H,13-16H2,1-2H3,(H2,28,33)
InChIKeyMQIGTWHEUSWRRH-UHFFFAOYSA-N
XLogP4.08
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
The IUPAC name of 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide (CID 178109308) is 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide is Cc1c(-c2ccc(N3CCN(C)C3=O)cc2)cccc1N1CCN(c2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
The InChIKey is MQIGTWHEUSWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-18-23(19-9-11-21(12-10-19)30-14-13-29(2)26(30)34)7-4-8-24(18)32-16-15-31(27(32)35)22-6-3-5-20(17-22)25(28)33/h3-12,17H,13-16H2,1-2H3,(H2,28,33).
What are the key properties of 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide?
3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 469.55 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).