4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide

C20H14N4O3 — CID 7996640

IUPAC4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O3/c25-20(22-17-7-3-5-14-4-1-2-6-16(14)17)15-8-9-18(19(12-15)24(26)27)23-11-10-21-13-23/h1-13H,(H,22,25)
InChIKeyFSAWKPPSTYEYQR-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.19
Rot. Bonds4

About 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide

4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide (PubChem CID 7996640) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
PubChem CID7996640
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O3/c25-20(22-17-7-3-5-14-4-1-2-6-16(14)17)15-8-9-18(19(12-15)24(26)27)23-11-10-21-13-23/h1-13H,(H,22,25)
InChIKeyFSAWKPPSTYEYQR-UHFFFAOYSA-N
XLogP4.19
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.19
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

4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
CID 39286914
3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-N,2-dimethylbenzamide
CID 46454270
N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
CID 2980005
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
N-[2,6-di(propan-2-yl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 55335183
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39272413
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-imidazol-1-yl-3-nitrobenzamide
CID 112760807
4-imidazol-1-yl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 112789062
N-[3-(benzenesulfonylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 58874521
4-imidazol-1-yl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-3-nitrobenzamide
CID 55890809

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide?
The IUPAC name of 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide (CID 7996640) is 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide?
The canonical SMILES for 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide is O=C(Nc1cccc2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide?
The InChIKey is FSAWKPPSTYEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-20(22-17-7-3-5-14-4-1-2-6-16(14)17)15-8-9-18(19(12-15)24(26)27)23-11-10-21-13-23/h1-13H,(H,22,25).
What are the key properties of 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide?
4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide has a molecular weight of 358.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide is sourced from PubChem (CID 7996640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).