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

C21H23N5O2 — CID 154035419

IUPACN-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCN(C)CCOc1nc(-c2ccc3c(c2)CCC3=NO)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H23N5O2/c1-26(2)11-12-28-21-23-19(14-7-9-22-10-8-14)20(24-21)16-3-5-17-15(13-16)4-6-18(17)25-27/h3,5,7-10,13,27H,4,6,11-12H2,1-2H3,(H,23,24)
InChIKeyWAIKMJLNCYFGIL-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.20
Rot. Bonds6

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

N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 154035419) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID154035419
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCN(C)CCOc1nc(-c2ccc3c(c2)CCC3=NO)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H23N5O2/c1-26(2)11-12-28-21-23-19(14-7-9-22-10-8-14)20(24-21)16-3-5-17-15(13-16)4-6-18(17)25-27/h3,5,7-10,13,27H,4,6,11-12H2,1-2H3,(H,23,24)
InChIKeyWAIKMJLNCYFGIL-UHFFFAOYSA-N
XLogP3.20
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 154035419) is N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is CN(C)CCOc1nc(-c2ccc3c(c2)CCC3=NO)c(-c2ccncc2)[nH]1.
What is the InChIKey of N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is WAIKMJLNCYFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(2)11-12-28-21-23-19(14-7-9-22-10-8-14)20(24-21)16-3-5-17-15(13-16)4-6-18(17)25-27/h3,5,7-10,13,27H,4,6,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 377.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 154035419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).