(2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone

C11H8ClN3O3 — CID 135818624

IUPAC(2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone
SMILESCc1nc(C(=O)c2ccccc2Cl)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H8ClN3O3/c1-6-13-9(11(14-6)15(17)18)10(16)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14)
InChIKeyAAUODLCSKLZGIT-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.51
Rot. Bonds3

About (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone

(2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone (PubChem CID 135818624) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone
PubChem CID135818624
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name(2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone
SMILESCc1nc(C(=O)c2ccccc2Cl)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H8ClN3O3/c1-6-13-9(11(14-6)15(17)18)10(16)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14)
InChIKeyAAUODLCSKLZGIT-UHFFFAOYSA-N
XLogP2.51
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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CID 174874189
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(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
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methyl 3-(2-chlorobenzoyl)-5-methyl-1H-pyrazole-4-carboxylate
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(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 21448731
1-chloro-2-nitrobenzene;methanol
CID 157371441
benzene;2-nitrobenzoic acid
CID 19891435
5-chloro-2-methylsulfanyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572798
5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
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CID 12843557

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone (CID 135818624) is (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone is Cc1nc(C(=O)c2ccccc2Cl)c([N+](=O)[O-])[nH]1.
What is the InChIKey of (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone?
The InChIKey is AAUODLCSKLZGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-6-13-9(11(14-6)15(17)18)10(16)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14).
What are the key properties of (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone?
(2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone has a molecular weight of 265.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-methyl-5-nitro-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 135818624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).