2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide

C29H29ClN8O2 — CID 25066846

IUPAC2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(NCCN3CCNC3=O)n2)c1
InChIInChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)
InChIKeyCBZHOVUXXVXVNO-UHFFFAOYSA-N
MW557.06 g/mol
LogP4.68
Rot. Bonds10

About 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide

2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide (PubChem CID 25066846) has the molecular formula C29H29ClN8O2 and a molecular weight of 557.06 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
PubChem CID25066846
Molecular FormulaC29H29ClN8O2
Molecular Weight557.06 g/mol
Exact Mass556.21
IUPAC Name2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(NCCN3CCNC3=O)n2)c1
InChIInChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)
InChIKeyCBZHOVUXXVXVNO-UHFFFAOYSA-N
XLogP4.68
TPSA127.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.06
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide (CID 25066846) is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc(C3CC3)[nH]c2-c2ccnc(NCCN3CCNC3=O)n2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide?
The InChIKey is CBZHOVUXXVXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide has a molecular weight of 557.06 g/mol, XLogP of 4.68, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 25066846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).