4-methyl-2-(2-nitrophenyl)-1H-benzimidazole

C14H11N3O2 — CID 11218984

IUPAC4-methyl-2-(2-nitrophenyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc12
InChIInChI=1S/C14H11N3O2/c1-9-5-4-7-11-13(9)16-14(15-11)10-6-2-3-8-12(10)17(18)19/h2-8H,1H3,(H,15,16)
InChIKeyPNJZRIGTHCVYEP-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.45
Rot. Bonds2

About 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole

4-methyl-2-(2-nitrophenyl)-1H-benzimidazole (PubChem CID 11218984) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(2-nitrophenyl)-1H-benzimidazole
PubChem CID11218984
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-methyl-2-(2-nitrophenyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc12
InChIInChI=1S/C14H11N3O2/c1-9-5-4-7-11-13(9)16-14(15-11)10-6-2-3-8-12(10)17(18)19/h2-8H,1H3,(H,15,16)
InChIKeyPNJZRIGTHCVYEP-UHFFFAOYSA-N
XLogP3.45
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole (CID 11218984) is 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole is Cc1cccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc12.
What is the InChIKey of 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole?
The InChIKey is PNJZRIGTHCVYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-5-4-7-11-13(9)16-14(15-11)10-6-2-3-8-12(10)17(18)19/h2-8H,1H3,(H,15,16).
What are the key properties of 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole?
4-methyl-2-(2-nitrophenyl)-1H-benzimidazole has a molecular weight of 253.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-nitrophenyl)-1H-benzimidazole is sourced from PubChem (CID 11218984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).