N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide

C23H23N5O — CID 122186483

IUPACN-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/m1/s1
InChIKeyICQCMPQEFWZGRJ-OAQYLSRUSA-N
MW385.47 g/mol
LogP3.31
Rot. Bonds5

About N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide (PubChem CID 122186483) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide
PubChem CID122186483
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/m1/s1
InChIKeyICQCMPQEFWZGRJ-OAQYLSRUSA-N
XLogP3.31
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

RG-2833
CID 56654642
1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 411778
N,N'-Bis[3-(4,5-Dihydro-1h-Imidazol-2-Yl)phenyl]biphenyl-4,4'-Dicarboxamide
CID 413628
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
DNA crosslinker 6
CID 24800508
N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide
CID 25023853
N-(2-anilino-2-oxo-1-phenylethyl)-4-methylbenzamide
CID 2978047
Benzamide, N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-3-((((4-(aminothioxomethyl)phenyl)amino)carbonyl)amino)-
CID 247952
4-(4,5-dihydro-1H-imidazol-2-yl)-N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]phenyl]benzamide
CID 415221
4-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]benzamide
CID 416033
N-(2-aminophenyl)-4-((2-methyl-4-oxoquinazolin-3(4H)-yl)methyl)benzamide
CID 10271347

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide (CID 122186483) is N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](c3ccccc3)N2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide?
The InChIKey is ICQCMPQEFWZGRJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/m1/s1.
What are the key properties of N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 122186483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).