3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole

C15H13N3O2 — CID 10220993

IUPAC3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole
SMILESC=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2N1C
InChIInChI=1S/C15H13N3O2/c1-10-16-14-7-6-12(9-15(14)17(10)2)11-4-3-5-13(8-11)18(19)20/h3-9,16H,1H2,2H3
InChIKeyRDFCKPVRVDBNLR-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.59
Rot. Bonds2

About 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole

3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole (PubChem CID 10220993) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole
PubChem CID10220993
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole
SMILESC=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2N1C
InChIInChI=1S/C15H13N3O2/c1-10-16-14-7-6-12(9-15(14)17(10)2)11-4-3-5-13(8-11)18(19)20/h3-9,16H,1H2,2H3
InChIKeyRDFCKPVRVDBNLR-UHFFFAOYSA-N
XLogP3.59
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.59
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'}

Analyze 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole
CID 146556660
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703
3-tert-butyl-1-methyl-5-(3-nitrophenyl)pyrazole
CID 154682928
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1',1'-dimethyl-5-(3-nitrophenyl)spiro[1H-indole-3,4'-cyclohexane]-2-one
CID 22019375
7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
CID 5028639
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
3-hydroxy-4-(3-nitrophenyl)-1H-imidazole-2-thione
CID 24784225
1-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3863533
4-methylsulfonyl-5-(3-nitrophenyl)-1H-pyrazole
CID 97181581

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole?
The IUPAC name of 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole (CID 10220993) is 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole.
What is the SMILES notation for 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole?
The canonical SMILES for 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole is C=C1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2N1C.
What is the InChIKey of 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole?
The InChIKey is RDFCKPVRVDBNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-16-14-7-6-12(9-15(14)17(10)2)11-4-3-5-13(8-11)18(19)20/h3-9,16H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole?
3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole has a molecular weight of 267.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole is sourced from PubChem (CID 10220993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).