N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C24H26N4O — CID 70739178

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NC(Cn3ccnc3)c3ccccc3)c2c1
InChIInChI=1S/C24H26N4O/c1-16-11-17(2)24-21(12-16)20(18(3)26-24)13-23(29)27-22(14-28-10-9-25-15-28)19-7-5-4-6-8-19/h4-12,15,22,26H,13-14H2,1-3H3,(H,27,29)
InChIKeyAKVAYEXQQBJOOD-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.39
Rot. Bonds6

About N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 70739178) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID70739178
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NC(Cn3ccnc3)c3ccccc3)c2c1
InChIInChI=1S/C24H26N4O/c1-16-11-17(2)24-21(12-16)20(18(3)26-24)13-23(29)27-22(14-28-10-9-25-15-28)19-7-5-4-6-8-19/h4-12,15,22,26H,13-14H2,1-3H3,(H,27,29)
InChIKeyAKVAYEXQQBJOOD-UHFFFAOYSA-N
XLogP4.39
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 97152669
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
CID 119061136
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 6249873

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 70739178) is N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is Cc1cc(C)c2[nH]c(C)c(CC(=O)NC(Cn3ccnc3)c3ccccc3)c2c1.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is AKVAYEXQQBJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-11-17(2)24-21(12-16)20(18(3)26-24)13-23(29)27-22(14-28-10-9-25-15-28)19-7-5-4-6-8-19/h4-12,15,22,26H,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70739178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).