N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C28H25BrN4O2 — CID 162471107

IUPACN-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)N[C@@H](Cc3ccccc3)c3nccn3-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C28H25BrN4O2/c1-35-23-11-12-25-24(17-23)20(18-31-25)16-27(34)32-26(15-19-5-3-2-4-6-19)28-30-13-14-33(28)22-9-7-21(29)8-10-22/h2-14,17-18,26,31H,15-16H2,1H3,(H,32,34)/t26-/m0/s1
InChIKeyNNORRRWMSAKSRB-SANMLTNESA-N
MW529.44 g/mol
LogP5.77
Rot. Bonds8

About N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 162471107) has the molecular formula C28H25BrN4O2 and a molecular weight of 529.44 g/mol. Its IUPAC name is N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID162471107
Molecular FormulaC28H25BrN4O2
Molecular Weight529.44 g/mol
Exact Mass528.12
IUPAC NameN-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)N[C@@H](Cc3ccccc3)c3nccn3-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C28H25BrN4O2/c1-35-23-11-12-25-24(17-23)20(18-31-25)16-27(34)32-26(15-19-5-3-2-4-6-19)28-30-13-14-33(28)22-9-7-21(29)8-10-22/h2-14,17-18,26,31H,15-16H2,1H3,(H,32,34)/t26-/m0/s1
InChIKeyNNORRRWMSAKSRB-SANMLTNESA-N
XLogP5.77
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.44
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 162471107) is N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)N[C@@H](Cc3ccccc3)c3nccn3-c3ccc(Br)cc3)c2c1.
What is the InChIKey of N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is NNORRRWMSAKSRB-SANMLTNESA-N. The full InChI is InChI=1S/C28H25BrN4O2/c1-35-23-11-12-25-24(17-23)20(18-31-25)16-27(34)32-26(15-19-5-3-2-4-6-19)28-30-13-14-33(28)22-9-7-21(29)8-10-22/h2-14,17-18,26,31H,15-16H2,1H3,(H,32,34)/t26-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 529.44 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 162471107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).