N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide

C20H17N5O — CID 173259363

IUPACN-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide
SMILESCn1c(C(=O)NN=Cc2cnc[nH]2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C20H17N5O/c1-25-17-10-6-5-9-16(17)18(14-7-3-2-4-8-14)19(25)20(26)24-23-12-15-11-21-13-22-15/h2-13H,1H3,(H,21,22)(H,24,26)
InChIKeyRHZVHICEZACSEH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.33
Rot. Bonds4

About N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide

N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide (PubChem CID 173259363) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide
PubChem CID173259363
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide
SMILESCn1c(C(=O)NN=Cc2cnc[nH]2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C20H17N5O/c1-25-17-10-6-5-9-16(17)18(14-7-3-2-4-8-14)19(25)20(26)24-23-12-15-11-21-13-22-15/h2-13H,1H3,(H,21,22)(H,24,26)
InChIKeyRHZVHICEZACSEH-UHFFFAOYSA-N
XLogP3.33
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.33
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

1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
1-methyl-3-phenylindole-2-carboxamide
CID 22037826
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 10251061
1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
CID 137274384
2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-1H-imidazol-5-ylmethylideneamino]carbamoyl]benzoic acid
CID 136504140
N-(benzylideneamino)-1H-imidazole-5-carboxamide
CID 1497211
N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
CID 8892980
2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide
CID 166801161
4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
CID 2443438
N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide
CID 136697519
4-hydroxy-1-methyl-2-oxo-N-(pyridin-4-ylmethylideneamino)quinoline-3-carboxamide
CID 54694379

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide (CID 173259363) is N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide is Cn1c(C(=O)NN=Cc2cnc[nH]2)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide?
The InChIKey is RHZVHICEZACSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-17-10-6-5-9-16(17)18(14-7-3-2-4-8-14)19(25)20(26)24-23-12-15-11-21-13-22-15/h2-13H,1H3,(H,21,22)(H,24,26).
What are the key properties of N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide?
N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide is sourced from PubChem (CID 173259363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).