6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane

C12H17BrN2 — CID 90818369

IUPAC6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
SMILESCC.Cc1nc2ccc(CCBr)cc2[nH]1
InChIInChI=1S/C10H11BrN2.C2H6/c1-7-12-9-3-2-8(4-5-11)6-10(9)13-7;1-2/h2-3,6H,4-5H2,1H3,(H,12,13);1-2H3
InChIKeyNAVBAEXEVQKZFF-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.83
Rot. Bonds2

About 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane

6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane (PubChem CID 90818369) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane.

Molecular Properties

Compound Name6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
PubChem CID90818369
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
SMILESCC.Cc1nc2ccc(CCBr)cc2[nH]1
InChIInChI=1S/C10H11BrN2.C2H6/c1-7-12-9-3-2-8(4-5-11)6-10(9)13-7;1-2/h2-3,6H,4-5H2,1H3,(H,12,13);1-2H3
InChIKeyNAVBAEXEVQKZFF-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane 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

N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane?
The IUPAC name of 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane (CID 90818369) is 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane.
What is the SMILES notation for 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane?
The canonical SMILES for 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane is CC.Cc1nc2ccc(CCBr)cc2[nH]1.
What is the InChIKey of 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane?
The InChIKey is NAVBAEXEVQKZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2.C2H6/c1-7-12-9-3-2-8(4-5-11)6-10(9)13-7;1-2/h2-3,6H,4-5H2,1H3,(H,12,13);1-2H3.
What are the key properties of 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane?
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane has a molecular weight of 269.19 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane is sourced from PubChem (CID 90818369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).