N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide

C19H15N5O — CID 135418261

IUPACN-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ncc[nH]1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H15N5O/c25-19(24-22-12-16-20-10-11-21-16)18-17(13-6-2-1-3-7-13)14-8-4-5-9-15(14)23-18/h1-12,23H,(H,20,21)(H,24,25)/b22-12+
InChIKeyWWKJIUOZDAKNRR-WSDLNYQXSA-N
MW329.36 g/mol
LogP3.32
Rot. Bonds4

About N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide

N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 135418261) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID135418261
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ncc[nH]1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H15N5O/c25-19(24-22-12-16-20-10-11-21-16)18-17(13-6-2-1-3-7-13)14-8-4-5-9-15(14)23-18/h1-12,23H,(H,20,21)(H,24,25)/b22-12+
InChIKeyWWKJIUOZDAKNRR-WSDLNYQXSA-N
XLogP3.32
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(Z)-1H-imidazol-2-ylmethylideneamino]benzamide
CID 137321091
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70119777
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
CID 91078245
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
[2,4-dibromo-6-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126399498
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126402812
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4-diethoxybenzoate
CID 126402657

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 135418261) is N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C/c1ncc[nH]1)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is WWKJIUOZDAKNRR-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(24-22-12-16-20-10-11-21-16)18-17(13-6-2-1-3-7-13)14-8-4-5-9-15(14)23-18/h1-12,23H,(H,20,21)(H,24,25)/b22-12+.
What are the key properties of N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide?
N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135418261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).