(4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone

C21H17N3O3 — CID 3294087

IUPAC(4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN=C2c2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O3/c1-14-9-10-16(13-19(14)24(26)27)21(25)23-12-11-22-20(23)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3
InChIKeyLUKMCZFAUPHAJZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.96
Rot. Bonds3

About (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone

(4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3294087) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3294087
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name(4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN=C2c2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O3/c1-14-9-10-16(13-19(14)24(26)27)21(25)23-12-11-22-20(23)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3
InChIKeyLUKMCZFAUPHAJZ-UHFFFAOYSA-N
XLogP3.96
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
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

[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 4199244
(2-benzyl-4,5-dihydroimidazol-1-yl)-(4-chloro-3-nitrophenyl)methanone
CID 3423787
(4-methyl-3-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939085
[1-[[2-(4-methyl-3-nitrobenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 4-methyl-3-nitrobenzoate
CID 3092073
4-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 8701633
(4-methyl-3-nitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151572
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 119562505
(4-methyl-3-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 878223
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
(3-methyl-4-nitrophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9194142

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone (CID 3294087) is (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone is Cc1ccc(C(=O)N2CCN=C2c2cccc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is LUKMCZFAUPHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-9-10-16(13-19(14)24(26)27)21(25)23-12-11-22-20(23)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3.
What are the key properties of (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone?
(4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 359.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-nitrophenyl)-(2-naphthalen-1-yl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3294087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).