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

C28H25N7O — CID 77106448

IUPAC4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
SMILES[H]/N=C(\N)c1ccc(-c2cnc(C(Cc3ccccc3)c3ncc(-c4ccc(C(N)=O)cc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C28H25N7O/c29-25(30)20-10-6-18(7-11-20)23-15-32-27(34-23)22(14-17-4-2-1-3-5-17)28-33-16-24(35-28)19-8-12-21(13-9-19)26(31)36/h1-13,15-16,22H,14H2,(H3,29,30)(H2,31,36)(H,32,34)(H,33,35)
InChIKeyZCBCNQRYPPYOLM-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.22
Rot. Bonds8

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

4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide (PubChem CID 77106448) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
PubChem CID77106448
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
SMILES[H]/N=C(\N)c1ccc(-c2cnc(C(Cc3ccccc3)c3ncc(-c4ccc(C(N)=O)cc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C28H25N7O/c29-25(30)20-10-6-18(7-11-20)23-15-32-27(34-23)22(14-17-4-2-1-3-5-17)28-33-16-24(35-28)19-8-12-21(13-9-19)26(31)36/h1-13,15-16,22H,14H2,(H3,29,30)(H2,31,36)(H,32,34)(H,33,35)
InChIKeyZCBCNQRYPPYOLM-UHFFFAOYSA-N
XLogP4.22
TPSA150.32 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
CID 25216176
4-carbamimidoyl-N-[2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 66675175
N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
CID 66674454
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
3-[(1S)-1-[5-(4-carbamoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-cyano-2-ethylbenzamide
CID 140531661
4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide
CID 35040288
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587
4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide
CID 11518547
4-[2-[(4-carbamimidoylanilino)-(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]-1H-imidazol-5-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 87585369
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 43650613
benzenecarboximidamide;2,5-diphenyl-1H-imidazole;ethane;methanol;1-phenylpropan-1-one
CID 157191834
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
CID 174325518

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide?
The IUPAC name of 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide (CID 77106448) is 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide is [H]/N=C(\N)c1ccc(-c2cnc(C(Cc3ccccc3)c3ncc(-c4ccc(C(N)=O)cc4)[nH]3)[nH]2)cc1.
What is the InChIKey of 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide?
The InChIKey is ZCBCNQRYPPYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c29-25(30)20-10-6-18(7-11-20)23-15-32-27(34-23)22(14-17-4-2-1-3-5-17)28-33-16-24(35-28)19-8-12-21(13-9-19)26(31)36/h1-13,15-16,22H,14H2,(H3,29,30)(H2,31,36)(H,32,34)(H,33,35).
What are the key properties of 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide?
4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide has a molecular weight of 475.56 g/mol, XLogP of 4.22, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide is sourced from PubChem (CID 77106448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).