2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide

C28H29ClN4O2 — CID 18319667

IUPAC2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
SMILESO=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNCC(O)c2ccccc2)cc1
InChIInChI=1S/C28H29ClN4O2/c29-24-10-6-22(7-11-24)20-33-17-16-31-27(33)18-28(35)32-25-12-8-21(9-13-25)14-15-30-19-26(34)23-4-2-1-3-5-23/h1-13,16-17,26,30,34H,14-15,18-20H2,(H,32,35)
InChIKeyZAGAMAQKESDRCH-UHFFFAOYSA-N
MW489.02 g/mol
LogP4.63
Rot. Bonds11

About 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide

2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide (PubChem CID 18319667) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
PubChem CID18319667
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC Name2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
SMILESO=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNCC(O)c2ccccc2)cc1
InChIInChI=1S/C28H29ClN4O2/c29-24-10-6-22(7-11-24)20-33-17-16-31-27(33)18-28(35)32-25-12-8-21(9-13-25)14-15-30-19-26(34)23-4-2-1-3-5-23/h1-13,16-17,26,30,34H,14-15,18-20H2,(H,32,35)
InChIKeyZAGAMAQKESDRCH-UHFFFAOYSA-N
XLogP4.63
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide (CID 18319667) is 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide is O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
The InChIKey is ZAGAMAQKESDRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c29-24-10-6-22(7-11-24)20-33-17-16-31-27(33)18-28(35)32-25-12-8-21(9-13-25)14-15-30-19-26(34)23-4-2-1-3-5-23/h1-13,16-17,26,30,34H,14-15,18-20H2,(H,32,35).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide?
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide has a molecular weight of 489.02 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 18319667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).