5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole

C15H14Cl2N2O — CID 61472347

IUPAC5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
SMILESCC(Cc1ccco1)n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H14Cl2N2O/c1-10(7-12-3-2-6-20-12)19-14-5-4-11(17)8-13(14)18-15(19)9-16/h2-6,8,10H,7,9H2,1H3
InChIKeyRECCDGHQOAJDQW-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.83
Rot. Bonds4

About 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole

5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole (PubChem CID 61472347) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
PubChem CID61472347
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
SMILESCC(Cc1ccco1)n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H14Cl2N2O/c1-10(7-12-3-2-6-20-12)19-14-5-4-11(17)8-13(14)18-15(19)9-16/h2-6,8,10H,7,9H2,1H3
InChIKeyRECCDGHQOAJDQW-UHFFFAOYSA-N
XLogP4.83
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030
2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 115509302
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310272
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067
2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155
5-chloro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115469957
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263
1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213
5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477689
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950661

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole (CID 61472347) is 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole is CC(Cc1ccco1)n1c(CCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
The InChIKey is RECCDGHQOAJDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(7-12-3-2-6-20-12)19-14-5-4-11(17)8-13(14)18-15(19)9-16/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole has a molecular weight of 309.20 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole is sourced from PubChem (CID 61472347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).