N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide

C25H29N5O3 — CID 57319443

IUPACN-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide
SMILESCNCCc1c[nH]c2ccc(Cc3[nH]c(=O)n(CCc4ccc(NC(C)=O)cc4)c3O)cc12
InChIInChI=1S/C25H29N5O3/c1-16(31)28-20-6-3-17(4-7-20)10-12-30-24(32)23(29-25(30)33)14-18-5-8-22-21(13-18)19(15-27-22)9-11-26-2/h3-8,13,15,26-27,32H,9-12,14H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyGTJKNUGBEGCOHW-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.92
Rot. Bonds9

About N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide

N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide (PubChem CID 57319443) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide
PubChem CID57319443
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide
SMILESCNCCc1c[nH]c2ccc(Cc3[nH]c(=O)n(CCc4ccc(NC(C)=O)cc4)c3O)cc12
InChIInChI=1S/C25H29N5O3/c1-16(31)28-20-6-3-17(4-7-20)10-12-30-24(32)23(29-25(30)33)14-18-5-8-22-21(13-18)19(15-27-22)9-11-26-2/h3-8,13,15,26-27,32H,9-12,14H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyGTJKNUGBEGCOHW-UHFFFAOYSA-N
XLogP2.92
TPSA114.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide (CID 57319443) is N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide is CNCCc1c[nH]c2ccc(Cc3[nH]c(=O)n(CCc4ccc(NC(C)=O)cc4)c3O)cc12.
What is the InChIKey of N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide?
The InChIKey is GTJKNUGBEGCOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16(31)28-20-6-3-17(4-7-20)10-12-30-24(32)23(29-25(30)33)14-18-5-8-22-21(13-18)19(15-27-22)9-11-26-2/h3-8,13,15,26-27,32H,9-12,14H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide?
N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.92, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-hydroxy-5-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxo-1H-imidazol-3-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 57319443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).