N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

C22H17N5O — CID 136597687

IUPACN-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(-c3nc(-c4cccnc4)[nH]c3-c3ccncc3)ccc21
InChIInChI=1S/C22H17N5O/c28-27-19-6-4-15-12-16(3-5-18(15)19)21-20(14-7-10-23-11-8-14)25-22(26-21)17-2-1-9-24-13-17/h1-3,5,7-13,28H,4,6H2,(H,25,26)
InChIKeyIGDWIDWJAUNPDV-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.33
Rot. Bonds3

About N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 136597687) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID136597687
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(-c3nc(-c4cccnc4)[nH]c3-c3ccncc3)ccc21
InChIInChI=1S/C22H17N5O/c28-27-19-6-4-15-12-16(3-5-18(15)19)21-20(14-7-10-23-11-8-14)25-22(26-21)17-2-1-9-24-13-17/h1-3,5,7-13,28H,4,6H2,(H,25,26)
InChIKeyIGDWIDWJAUNPDV-UHFFFAOYSA-N
XLogP4.33
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[5-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135466457
N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 154035419
[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 135543030
(4-cyclohexylpiperazin-1-yl)-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazol-2-yl]methanone
CID 135469622
5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)inden-1-one
CID 141051178
5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-1H-imidazol-4-yl]-1H-pyridin-2-one
CID 72694830
N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 73226000
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
CID 44533820
2-amino-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)pyridin-3-ol
CID 59137277
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]methyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazole-2-carboxamide
CID 135452972
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
cis-(1S,3R)-3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
CID 44587047

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 136597687) is N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(-c3nc(-c4cccnc4)[nH]c3-c3ccncc3)ccc21.
What is the InChIKey of N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is IGDWIDWJAUNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-27-19-6-4-15-12-16(3-5-18(15)19)21-20(14-7-10-23-11-8-14)25-22(26-21)17-2-1-9-24-13-17/h1-3,5,7-13,28H,4,6H2,(H,25,26).
What are the key properties of N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 367.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-pyridin-3-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 136597687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).