2-(1-bromoethyl)-6-chloro-1H-benzimidazole

C9H8BrClN2 — CID 82020457

IUPAC2-(1-bromoethyl)-6-chloro-1H-benzimidazole
SMILESCC(Br)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H8BrClN2/c1-5(10)9-12-7-3-2-6(11)4-8(7)13-9/h2-5H,1H3,(H,12,13)
InChIKeyKBNCHYJHMHXLTR-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.67
Rot. Bonds1

About 2-(1-bromoethyl)-6-chloro-1H-benzimidazole

2-(1-bromoethyl)-6-chloro-1H-benzimidazole (PubChem CID 82020457) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 2-(1-bromoethyl)-6-chloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-bromoethyl)-6-chloro-1H-benzimidazole
PubChem CID82020457
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name2-(1-bromoethyl)-6-chloro-1H-benzimidazole
SMILESCC(Br)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H8BrClN2/c1-5(10)9-12-7-3-2-6(11)4-8(7)13-9/h2-5H,1H3,(H,12,13)
InChIKeyKBNCHYJHMHXLTR-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
2-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 146094480
(1R,2R)-1-amino-1-(6-chloro-1H-benzimidazol-2-yl)propan-2-ol;(1R,2R)-1-(6-chloro-1H-benzimidazol-2-yl)-1-(methylamino)propan-2-ol
CID 157385067
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
(1R,3R)-1-(6-chloro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118153866
(1R,2S,3R)-1-(6-chloro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 72947841
2-[1-(azepan-1-yl)propyl]-6-chloro-1H-benzimidazole
CID 82336262
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-6-chloro-1H-benzimidazole?
The IUPAC name of 2-(1-bromoethyl)-6-chloro-1H-benzimidazole (CID 82020457) is 2-(1-bromoethyl)-6-chloro-1H-benzimidazole.
What is the SMILES notation for 2-(1-bromoethyl)-6-chloro-1H-benzimidazole?
The canonical SMILES for 2-(1-bromoethyl)-6-chloro-1H-benzimidazole is CC(Br)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(1-bromoethyl)-6-chloro-1H-benzimidazole?
The InChIKey is KBNCHYJHMHXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-5(10)9-12-7-3-2-6(11)4-8(7)13-9/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(1-bromoethyl)-6-chloro-1H-benzimidazole?
2-(1-bromoethyl)-6-chloro-1H-benzimidazole has a molecular weight of 259.53 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-6-chloro-1H-benzimidazole is sourced from PubChem (CID 82020457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).