4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide

C28H24N6O2 — CID 11518547

IUPAC4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(C(Cc3ccccc3)C(=O)Nc3ccc4c(N)nccc4c3)[nH]2)cc1
InChIInChI=1S/C28H24N6O2/c29-25-22-11-10-21(15-20(22)12-13-31-25)33-28(36)23(14-17-4-2-1-3-5-17)27-32-16-24(34-27)18-6-8-19(9-7-18)26(30)35/h1-13,15-16,23H,14H2,(H2,29,31)(H2,30,35)(H,32,34)(H,33,36)
InChIKeyHJOLDXQRTBSRHH-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.27
Rot. Bonds7

About 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide

4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide (PubChem CID 11518547) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide
PubChem CID11518547
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(C(Cc3ccccc3)C(=O)Nc3ccc4c(N)nccc4c3)[nH]2)cc1
InChIInChI=1S/C28H24N6O2/c29-25-22-11-10-21(15-20(22)12-13-31-25)33-28(36)23(14-17-4-2-1-3-5-17)27-32-16-24(34-27)18-6-8-19(9-7-18)26(30)35/h1-13,15-16,23H,14H2,(H2,29,31)(H2,30,35)(H,32,34)(H,33,36)
InChIKeyHJOLDXQRTBSRHH-UHFFFAOYSA-N
XLogP4.27
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
CID 77106448
N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
CID 58181545
2-[2-[(R)-[(1-aminoisoquinolin-6-yl)amino]-(3-ethoxy-5-ethyl-2-fluorophenyl)methyl]-1H-imidazol-5-yl]benzamide;2-[2-[(S)-[(1-aminoisoquinolin-6-yl)amino]-(3-ethoxy-5-ethyl-2-fluorophenyl)methyl]-1H-imidazol-5-yl]benzamide
CID 161485634
N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
CID 25216176
N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
CID 66674454
2-[2-[[(1-aminoisoquinolin-6-yl)amino]-(5-ethyl-2-fluoro-3-propoxyphenyl)methyl]-1H-imidazol-5-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 87584865
2-[2-[[(1-aminoisoquinolin-6-yl)amino]-(2-fluoro-5-methoxyphenyl)methyl]-1H-imidazol-5-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 87585073
3-[(1S)-1-[5-(4-carbamoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-cyano-2-ethylbenzamide
CID 140531661
3-(1-aminoisoquinolin-7-yl)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
CID 54112183
ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate
CID 118471942
4-carbamimidoyl-N-[2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 66675175
4-[(2-benzyl-3-sulfanylpropanoyl)amino]benzamide
CID 19842346

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide?
The IUPAC name of 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide (CID 11518547) is 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(C(Cc3ccccc3)C(=O)Nc3ccc4c(N)nccc4c3)[nH]2)cc1.
What is the InChIKey of 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide?
The InChIKey is HJOLDXQRTBSRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c29-25-22-11-10-21(15-20(22)12-13-31-25)33-28(36)23(14-17-4-2-1-3-5-17)27-32-16-24(34-27)18-6-8-19(9-7-18)26(30)35/h1-13,15-16,23H,14H2,(H2,29,31)(H2,30,35)(H,32,34)(H,33,36).
What are the key properties of 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide?
4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide has a molecular weight of 476.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide is sourced from PubChem (CID 11518547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).