N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide

C25H23N5O — CID 25216176

IUPACN-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
SMILES[H]/N=C(\N)c1ccc(-c2cnc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H23N5O/c26-23(27)19-13-11-18(12-14-19)22-16-28-24(29-22)21(15-17-7-3-1-4-8-17)30-25(31)20-9-5-2-6-10-20/h1-14,16,21H,15H2,(H3,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
InChIKeyMMARSDSMJMHKLL-NRFANRHFSA-N
MW409.49 g/mol
LogP4.07
Rot. Bonds7

About N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide

N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide (PubChem CID 25216176) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
PubChem CID25216176
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
SMILES[H]/N=C(\N)c1ccc(-c2cnc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H23N5O/c26-23(27)19-13-11-18(12-14-19)22-16-28-24(29-22)21(15-17-7-3-1-4-8-17)30-25(31)20-9-5-2-6-10-20/h1-14,16,21H,15H2,(H3,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
InChIKeyMMARSDSMJMHKLL-NRFANRHFSA-N
XLogP4.07
TPSA107.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.07
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
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
CID 174325518
N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
CID 66674454
3-cyano-N-[1-[5-(4-cyanophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-fluorobenzamide
CID 77161377
4-(aminomethyl)-N-[1-[5-(4-carbamoylphenyl)-1H-imidazol-2-yl]-2-[3-(difluoromethoxy)phenyl]ethyl]benzamide
CID 25216432
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
methyl 4-[2-[(1S)-1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-1H-imidazol-5-yl]benzoate
CID 66674821
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118720985
N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 22573945
methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate
CID 20708080

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide (CID 25216176) is N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide is [H]/N=C(\N)c1ccc(-c2cnc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide?
The InChIKey is MMARSDSMJMHKLL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23N5O/c26-23(27)19-13-11-18(12-14-19)22-16-28-24(29-22)21(15-17-7-3-1-4-8-17)30-25(31)20-9-5-2-6-10-20/h1-14,16,21H,15H2,(H3,26,27)(H,28,29)(H,30,31)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide?
N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide is sourced from PubChem (CID 25216176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).