2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole

C14H11N3O3 — CID 59843298

IUPAC2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
SMILESCOc1ccccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C14H11N3O3/c1-20-12-8-3-2-5-9(12)14-15-10-6-4-7-11(17(18)19)13(10)16-14/h2-8H,1H3,(H,15,16)
InChIKeyCVUSCADZNWOKIY-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.15
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole

2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole (PubChem CID 59843298) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
PubChem CID59843298
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
SMILESCOc1ccccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C14H11N3O3/c1-20-12-8-3-2-5-9(12)14-15-10-6-4-7-11(17(18)19)13(10)16-14/h2-8H,1H3,(H,15,16)
InChIKeyCVUSCADZNWOKIY-UHFFFAOYSA-N
XLogP3.15
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.15
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 2-(2-methoxyphenyl)-4-nitro-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

4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
2-(4,5-dimethoxy-2-nitrophenyl)-1H-benzimidazole
CID 671086
methyl 4-(4-nitro-1H-benzimidazol-2-yl)benzoate
CID 4915276
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
N-methyl-4-nitro-1H-benzimidazol-2-amine
CID 45077987
4-nitro-2-[(4-nitro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 129046933
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360
2-ethenyl-4-nitro-1H-benzimidazole
CID 11127049
2-ethylsulfonyl-4-nitro-1H-benzimidazole
CID 76845867
4-nitro-N-propan-2-yl-1H-benzimidazol-2-amine
CID 10727632
ethyl 4-nitro-1H-benzimidazole-2-carboxylate
CID 141488459

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole (CID 59843298) is 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole is COc1ccccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole?
The InChIKey is CVUSCADZNWOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-12-8-3-2-5-9(12)14-15-10-6-4-7-11(17(18)19)13(10)16-14/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole?
2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole has a molecular weight of 269.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole is sourced from PubChem (CID 59843298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).