2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride

C15H13Cl2N5O5 — CID 25208376

IUPAC2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride
SMILESCl.O=[N+]([O-])/C(=C\c1ccc([N+](=O)[O-])o1)C1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C15H12ClN5O5.ClH/c16-13-3-1-10(8-18-13)9-19-6-5-17-15(19)12(20(22)23)7-11-2-4-14(26-11)21(24)25;/h1-4,7-8H,5-6,9H2;1H/b12-7-;
InChIKeyNEAQJQQNVSCRLK-OZLKFZLXSA-N
MW414.21 g/mol
LogP3.19
Rot. Bonds6

About 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride

2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride (PubChem CID 25208376) has the molecular formula C15H13Cl2N5O5 and a molecular weight of 414.21 g/mol. Its IUPAC name is 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride
PubChem CID25208376
Molecular FormulaC15H13Cl2N5O5
Molecular Weight414.21 g/mol
Exact Mass413.03
IUPAC Name2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride
SMILESCl.O=[N+]([O-])/C(=C\c1ccc([N+](=O)[O-])o1)C1=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C15H12ClN5O5.ClH/c16-13-3-1-10(8-18-13)9-19-6-5-17-15(19)12(20(22)23)7-11-2-4-14(26-11)21(24)25;/h1-4,7-8H,5-6,9H2;1H/b12-7-;
InChIKeyNEAQJQQNVSCRLK-OZLKFZLXSA-N
XLogP3.19
TPSA127.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
The IUPAC name of 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride (CID 25208376) is 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride is Cl.O=[N+]([O-])/C(=C\c1ccc([N+](=O)[O-])o1)C1=NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
The InChIKey is NEAQJQQNVSCRLK-OZLKFZLXSA-N. The full InChI is InChI=1S/C15H12ClN5O5.ClH/c16-13-3-1-10(8-18-13)9-19-6-5-17-15(19)12(20(22)23)7-11-2-4-14(26-11)21(24)25;/h1-4,7-8H,5-6,9H2;1H/b12-7-;.
What are the key properties of 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride?
2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride has a molecular weight of 414.21 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[(Z)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]pyridine;hydrochloride is sourced from PubChem (CID 25208376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).