N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide

C26H25N5O — CID 66674454

IUPACN-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)CC(Cc2ccccc2)c2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C26H25N5O/c27-25(28)20-11-13-22(14-12-20)30-24(32)16-21(15-18-7-3-1-4-8-18)26-29-17-23(31-26)19-9-5-2-6-10-19/h1-14,17,21H,15-16H2,(H3,27,28)(H,29,31)(H,30,32)
InChIKeyUBEKGRFUNCVJQQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.72
Rot. Bonds8

About N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide

N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide (PubChem CID 66674454) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
PubChem CID66674454
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)CC(Cc2ccccc2)c2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C26H25N5O/c27-25(28)20-11-13-22(14-12-20)30-24(32)16-21(15-18-7-3-1-4-8-18)26-29-17-23(31-26)19-9-5-2-6-10-19/h1-14,17,21H,15-16H2,(H3,27,28)(H,29,31)(H,30,32)
InChIKeyUBEKGRFUNCVJQQ-UHFFFAOYSA-N
XLogP4.72
TPSA107.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-carbamimidoyl-N-[2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 66675175
4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
CID 77106448
N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
CID 25216176
3-(benzylsulfonylamino)-N-(4-carbamimidoylphenyl)-3-phenylpropanamide
CID 20976650
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
CID 59110661
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
benzyl 2-benzyl-3-(4-carbamimidoylanilino)-3-oxopropanoate
CID 59110673
(2S)-2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 57134661
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
benzenecarboximidamide;2,5-diphenyl-1H-imidazole;ethane;methanol;1-phenylpropan-1-one
CID 157191834
2-[(2-acetamidoacetyl)amino]-N-(4-carbamimidoylphenyl)-3-(4-phenylphenyl)propanamide
CID 143157334
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
CID 174325518

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide (CID 66674454) is N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide is [H]/N=C(\N)c1ccc(NC(=O)CC(Cc2ccccc2)c2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide?
The InChIKey is UBEKGRFUNCVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c27-25(28)20-11-13-22(14-12-20)30-24(32)16-21(15-18-7-3-1-4-8-18)26-29-17-23(31-26)19-9-5-2-6-10-19/h1-14,17,21H,15-16H2,(H3,27,28)(H,29,31)(H,30,32).
What are the key properties of N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide?
N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide has a molecular weight of 423.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide is sourced from PubChem (CID 66674454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).