2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide

C24H21ClN6O2 — CID 171770241

IUPAC2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
SMILESO=C1NCC(c2ccc(N(Cc3cccc(Cl)c3)C(=O)Cn3nnc4ccccc43)cc2)N1
InChIInChI=1S/C24H21ClN6O2/c25-18-5-3-4-16(12-18)14-30(19-10-8-17(9-11-19)21-13-26-24(33)27-21)23(32)15-31-22-7-2-1-6-20(22)28-29-31/h1-12,21H,13-15H2,(H2,26,27,33)
InChIKeyMKMXKVRLZDGJOZ-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.67
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide (PubChem CID 171770241) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
PubChem CID171770241
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
SMILESO=C1NCC(c2ccc(N(Cc3cccc(Cl)c3)C(=O)Cn3nnc4ccccc43)cc2)N1
InChIInChI=1S/C24H21ClN6O2/c25-18-5-3-4-16(12-18)14-30(19-10-8-17(9-11-19)21-13-26-24(33)27-21)23(32)15-31-22-7-2-1-6-20(22)28-29-31/h1-12,21H,13-15H2,(H2,26,27,33)
InChIKeyMKMXKVRLZDGJOZ-UHFFFAOYSA-N
XLogP3.67
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide (CID 171770241) is 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide is O=C1NCC(c2ccc(N(Cc3cccc(Cl)c3)C(=O)Cn3nnc4ccccc43)cc2)N1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide?
The InChIKey is MKMXKVRLZDGJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c25-18-5-3-4-16(12-18)14-30(19-10-8-17(9-11-19)21-13-26-24(33)27-21)23(32)15-31-22-7-2-1-6-20(22)28-29-31/h1-12,21H,13-15H2,(H2,26,27,33).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide has a molecular weight of 460.93 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 171770241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).