2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol

C10H10Cl2N2O — CID 28819102

IUPAC2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C10H10Cl2N2O/c11-6-10-13-8-5-7(12)1-2-9(8)14(10)3-4-15/h1-2,5,15H,3-4,6H2
InChIKeyFPBDSBPLKVZYGY-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.42
Rot. Bonds3

About 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol

2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol (PubChem CID 28819102) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
PubChem CID28819102
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C10H10Cl2N2O/c11-6-10-13-8-5-7(12)1-2-9(8)14(10)3-4-15/h1-2,5,15H,3-4,6H2
InChIKeyFPBDSBPLKVZYGY-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
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CID 67992653
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-chloro-2-(chloromethyl)-1-(2-methylsulfonylethyl)benzimidazole
CID 54935133
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea
CID 83115048
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
methyl 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]acetate
CID 43659664
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407112
5-chloro-2-(chloromethyl)-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585864

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol (CID 28819102) is 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol is OCCn1c(CCl)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol?
The InChIKey is FPBDSBPLKVZYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-6-10-13-8-5-7(12)1-2-9(8)14(10)3-4-15/h1-2,5,15H,3-4,6H2.
What are the key properties of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol?
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol has a molecular weight of 245.11 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 28819102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).