ethane;2-methyl-6-nitro-1H-benzimidazole

C10H13N3O2 — CID 90798805

IUPACethane;2-methyl-6-nitro-1H-benzimidazole
SMILESCC.Cc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C8H7N3O2.C2H6/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5;1-2/h2-4H,1H3,(H,9,10);1-2H3
InChIKeyGYGKQISGAOIKGZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.81
Rot. Bonds1

About ethane;2-methyl-6-nitro-1H-benzimidazole

ethane;2-methyl-6-nitro-1H-benzimidazole (PubChem CID 90798805) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethane;2-methyl-6-nitro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2-methyl-6-nitro-1H-benzimidazole
PubChem CID90798805
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Nameethane;2-methyl-6-nitro-1H-benzimidazole
SMILESCC.Cc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C8H7N3O2.C2H6/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5;1-2/h2-4H,1H3,(H,9,10);1-2H3
InChIKeyGYGKQISGAOIKGZ-UHFFFAOYSA-N
XLogP2.81
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.81
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'}

Analyze ethane;2-methyl-6-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

2-chloro-6-nitro-1H-benzimidazole;ethane
CID 144800712
2-(iodomethyl)-6-nitro-1H-benzimidazole
CID 119085279
(6-nitro-1H-benzimidazol-2-yl)methanamine
CID 30159791
CID 145237934
CID 145237934
2-(4-methylphenyl)sulfonyl-6-nitro-1H-benzimidazole
CID 57176725
2-methyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 91686918
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
2-(4-chloro-2-methylphenyl)-6-nitro-1H-benzimidazole
CID 162663373
6-nitro-2-undecyl-1H-benzimidazole
CID 163965028
N-(4-tert-butylphenyl)-6-nitro-1H-benzimidazol-2-amine
CID 70691011
N-(2-methoxyethyl)-6-nitro-1H-benzimidazol-2-amine
CID 78911169
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-nitro-1H-benzimidazole?
The IUPAC name of ethane;2-methyl-6-nitro-1H-benzimidazole (CID 90798805) is ethane;2-methyl-6-nitro-1H-benzimidazole.
What is the SMILES notation for ethane;2-methyl-6-nitro-1H-benzimidazole?
The canonical SMILES for ethane;2-methyl-6-nitro-1H-benzimidazole is CC.Cc1nc2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of ethane;2-methyl-6-nitro-1H-benzimidazole?
The InChIKey is GYGKQISGAOIKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.C2H6/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5;1-2/h2-4H,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-methyl-6-nitro-1H-benzimidazole?
ethane;2-methyl-6-nitro-1H-benzimidazole has a molecular weight of 207.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-nitro-1H-benzimidazole is sourced from PubChem (CID 90798805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).