2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid

C18H14Cl2N4O3 — CID 173443390

IUPAC2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid
SMILESN#CC(Cn1ccnc1)(c1ccc(Cl)cc1)c1ccccc1Cl.O=[N+]([O-])O
InChIInChI=1S/C18H13Cl2N3.HNO3/c19-15-7-5-14(6-8-15)18(11-21,12-23-10-9-22-13-23)16-3-1-2-4-17(16)20;2-1(3)4/h1-10,13H,12H2;(H,2,3,4)
InChIKeyQYQVZAZCMQPPCM-UHFFFAOYSA-N
MW405.24 g/mol
LogP4.35
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid

2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid (PubChem CID 173443390) has the molecular formula C18H14Cl2N4O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid
PubChem CID173443390
Molecular FormulaC18H14Cl2N4O3
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC Name2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid
SMILESN#CC(Cn1ccnc1)(c1ccc(Cl)cc1)c1ccccc1Cl.O=[N+]([O-])O
InChIInChI=1S/C18H13Cl2N3.HNO3/c19-15-7-5-14(6-8-15)18(11-21,12-23-10-9-22-13-23)16-3-1-2-4-17(16)20;2-1(3)4/h1-10,13H,12H2;(H,2,3,4)
InChIKeyQYQVZAZCMQPPCM-UHFFFAOYSA-N
XLogP4.35
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
CID 70550084
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-(4-iodophenyl)propan-2-ol;nitric acid
CID 70549876
2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)pent-4-ynenitrile
CID 23339888
[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate
CID 54452828
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
CID 142515228
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
CID 57345777
1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
CID 117068688
[(E)-1-(4-chlorophenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl] nitrate
CID 22800050

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid (CID 173443390) is 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid is N#CC(Cn1ccnc1)(c1ccc(Cl)cc1)c1ccccc1Cl.O=[N+]([O-])O.
What is the InChIKey of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid?
The InChIKey is QYQVZAZCMQPPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3.HNO3/c19-15-7-5-14(6-8-15)18(11-21,12-23-10-9-22-13-23)16-3-1-2-4-17(16)20;2-1(3)4/h1-10,13H,12H2;(H,2,3,4).
What are the key properties of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid?
2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid has a molecular weight of 405.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid is sourced from PubChem (CID 173443390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).