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

C11H12Cl2N4O — CID 83115048

IUPAC2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea
SMILESNC(=O)NCCn1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C11H12Cl2N4O/c12-6-10-16-8-5-7(13)1-2-9(8)17(10)4-3-15-11(14)18/h1-2,5H,3-4,6H2,(H3,14,15,18)
InChIKeySSYIZPXCHFPIFR-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.10
Rot. Bonds4

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

2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea (PubChem CID 83115048) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea.

Molecular Properties

Compound Name2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea
PubChem CID83115048
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea
SMILESNC(=O)NCCn1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C11H12Cl2N4O/c12-6-10-16-8-5-7(13)1-2-9(8)17(10)4-3-15-11(14)18/h1-2,5H,3-4,6H2,(H3,14,15,18)
InChIKeySSYIZPXCHFPIFR-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethylurea
CID 83115130
3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83115200
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653
methyl 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]acetate
CID 43659664
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-chloro-2-(chloromethyl)-1-(2-methylsulfonylethyl)benzimidazole
CID 54935133
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114579
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
CID 83114870
4-[2-(aminomethyl)-5-chlorobenzimidazol-1-yl]butan-2-one
CID 82332544

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea?
The IUPAC name of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea (CID 83115048) is 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea.
What is the SMILES notation for 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea?
The canonical SMILES for 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea is NC(=O)NCCn1c(CCl)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea?
The InChIKey is SSYIZPXCHFPIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c12-6-10-16-8-5-7(13)1-2-9(8)17(10)4-3-15-11(14)18/h1-2,5H,3-4,6H2,(H3,14,15,18).
What are the key properties of 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea?
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea has a molecular weight of 287.15 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 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]ethylurea is sourced from PubChem (CID 83115048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).