6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole

C15H11N3O2 — CID 92970296

IUPAC6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(/C=C\c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H11N3O2/c19-18(20)12-7-8-13-14(10-12)17-15(16-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-6-
InChIKeySZVBXPRXXQDRKI-TWGQIWQCSA-N
MW265.27 g/mol
LogP3.64
Rot. Bonds3

About 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole

6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole (PubChem CID 92970296) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
PubChem CID92970296
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(/C=C\c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H11N3O2/c19-18(20)12-7-8-13-14(10-12)17-15(16-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-6-
InChIKeySZVBXPRXXQDRKI-TWGQIWQCSA-N
XLogP3.64
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.64
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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Related Compounds

2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
6-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135441720
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 17386472
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
6-nitro-2-(2-phenylethenyl)quinoline
CID 54158128
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-benzo[g]quinazolin-4-one
CID 135470796
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 141198504
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 67164143

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole?
The IUPAC name of 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole (CID 92970296) is 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole?
The canonical SMILES for 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole is O=[N+]([O-])c1ccc2nc(/C=C\c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole?
The InChIKey is SZVBXPRXXQDRKI-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)12-7-8-13-14(10-12)17-15(16-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-6-.
What are the key properties of 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole?
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole has a molecular weight of 265.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole is sourced from PubChem (CID 92970296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).