N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide

C26H25N5O — CID 177349013

IUPACN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide
SMILESNc1ncc(-c2ccc(CNC(=O)Cc3ccc4c(c3)C(c3ccccc3)CN4)cc2)[nH]1
InChIInChI=1S/C26H25N5O/c27-26-30-16-24(31-26)20-9-6-17(7-10-20)14-29-25(32)13-18-8-11-23-21(12-18)22(15-28-23)19-4-2-1-3-5-19/h1-12,16,22,28H,13-15H2,(H,29,32)(H3,27,30,31)
InChIKeyFNHLYAXNHWGALF-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.08
Rot. Bonds6

About N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide

N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide (PubChem CID 177349013) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide
PubChem CID177349013
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide
SMILESNc1ncc(-c2ccc(CNC(=O)Cc3ccc4c(c3)C(c3ccccc3)CN4)cc2)[nH]1
InChIInChI=1S/C26H25N5O/c27-26-30-16-24(31-26)20-9-6-17(7-10-20)14-29-25(32)13-18-8-11-23-21(12-18)22(15-28-23)19-4-2-1-3-5-19/h1-12,16,22,28H,13-15H2,(H,29,32)(H3,27,30,31)
InChIKeyFNHLYAXNHWGALF-UHFFFAOYSA-N
XLogP4.08
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(4-ethylphenyl)phenyl]acetamide
CID 177349338
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(3,5-dimethylphenyl)phenyl]acetamide;thiohydroxylamine
CID 177349139
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(oxan-4-yl)phenyl]acetamide;thiohydroxylamine
CID 177349308
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine
CID 177349019
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide
CID 177349144
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
N-[[4-(2-amino-1H-imidazol-5-yl)-3-methoxyphenyl]methyl]-2-[4-(phenylsulfanylamino)phenyl]acetamide
CID 177349110
2-[4-(benzenesulfonamido)phenyl]-N-[[4-(2-nitro-1H-imidazol-5-yl)phenyl]methyl]acetamide
CID 177349055
copper(1+);5-phenyl-1H-imidazol-2-amine;iodide
CID 175039174
4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
CID 69483664
2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone
CID 158314865
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide?
The IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide (CID 177349013) is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide.
What is the SMILES notation for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide?
The canonical SMILES for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide is Nc1ncc(-c2ccc(CNC(=O)Cc3ccc4c(c3)C(c3ccccc3)CN4)cc2)[nH]1.
What is the InChIKey of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide?
The InChIKey is FNHLYAXNHWGALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c27-26-30-16-24(31-26)20-9-6-17(7-10-20)14-29-25(32)13-18-8-11-23-21(12-18)22(15-28-23)19-4-2-1-3-5-19/h1-12,16,22,28H,13-15H2,(H,29,32)(H3,27,30,31).
What are the key properties of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide?
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide is sourced from PubChem (CID 177349013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).