3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

C27H23N5O — CID 135641994

IUPAC3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESO=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C27H23N5O/c33-25(31-30-18-22-17-28-24-14-8-7-13-23(22)24)15-16-32-19-29-26(20-9-3-1-4-10-20)27(32)21-11-5-2-6-12-21/h1-14,17-19,28H,15-16H2,(H,31,33)/b30-18+
InChIKeyOYVMZSMTYXIIIF-UXHLAJHPSA-N
MW433.52 g/mol
LogP5.24
Rot. Bonds7

About 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (PubChem CID 135641994) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
PubChem CID135641994
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESO=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C27H23N5O/c33-25(31-30-18-22-17-28-24-14-8-7-13-23(22)24)15-16-32-19-29-26(20-9-3-1-4-10-20)27(32)21-11-5-2-6-12-21/h1-14,17-19,28H,15-16H2,(H,31,33)/b30-18+
InChIKeyOYVMZSMTYXIIIF-UXHLAJHPSA-N
XLogP5.24
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
3-(benzotriazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135635859
N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 679121
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904
2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 35583303
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(4-octoxyphenyl)methylideneamino]propanamide
CID 17028298
2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 770367
3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135554404
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The IUPAC name of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (CID 135641994) is 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The InChIKey is OYVMZSMTYXIIIF-UXHLAJHPSA-N. The full InChI is InChI=1S/C27H23N5O/c33-25(31-30-18-22-17-28-24-14-8-7-13-23(22)24)15-16-32-19-29-26(20-9-3-1-4-10-20)27(32)21-11-5-2-6-12-21/h1-14,17-19,28H,15-16H2,(H,31,33)/b30-18+.
What are the key properties of 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide has a molecular weight of 433.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 135641994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).