(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine

C20H15ClN4O — CID 59879950

IUPAC(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O/c21-16-9-6-14(7-10-16)19-20(22)23-17-11-8-15(12-25(17)19)18(24-26)13-4-2-1-3-5-13/h1-12,26H,22H2/b24-18+
InChIKeyLEZZODKEPISCJZ-HKOYGPOVSA-N
MW362.82 g/mol
LogP4.46
Rot. Bonds3

About (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine

(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (PubChem CID 59879950) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
PubChem CID59879950
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O/c21-16-9-6-14(7-10-16)19-20(22)23-17-11-8-15(12-25(17)19)18(24-26)13-4-2-1-3-5-13/h1-12,26H,22H2/b24-18+
InChIKeyLEZZODKEPISCJZ-HKOYGPOVSA-N
XLogP4.46
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.46
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

N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586350
(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879957
(NZ)-N-[(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylmethylidene]hydroxylamine
CID 135550560
N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586329
(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879971
[2-amino-3-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626654
(2-amino-3-naphthalen-2-ylimidazo[1,2-a]pyridin-6-yl)-phenylmethanone
CID 22626702
(NZ)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
CID 135496857
N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine
CID 72586349
[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626660
[2-amino-3-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626644
(1E)-N-[6-benzoyl-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685782

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (CID 59879950) is (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is Nc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is LEZZODKEPISCJZ-HKOYGPOVSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-16-9-6-14(7-10-16)19-20(22)23-17-11-8-15(12-25(17)19)18(24-26)13-4-2-1-3-5-13/h1-12,26H,22H2/b24-18+.
What are the key properties of (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 362.82 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 59879950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).