2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole

C15H13ClF2N2O — CID 115509302

IUPAC2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
SMILESCC(Cc1ccco1)n1c(CCl)nc2c(F)cc(F)cc21
InChIInChI=1S/C15H13ClF2N2O/c1-9(5-11-3-2-4-21-11)20-13-7-10(17)6-12(18)15(13)19-14(20)8-16/h2-4,6-7,9H,5,8H2,1H3
InChIKeyTYPGSFKHRSLWDF-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.45
Rot. Bonds4

About 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole

2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole (PubChem CID 115509302) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
PubChem CID115509302
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
SMILESCC(Cc1ccco1)n1c(CCl)nc2c(F)cc(F)cc21
InChIInChI=1S/C15H13ClF2N2O/c1-9(5-11-3-2-4-21-11)20-13-7-10(17)6-12(18)15(13)19-14(20)8-16/h2-4,6-7,9H,5,8H2,1H3
InChIKeyTYPGSFKHRSLWDF-UHFFFAOYSA-N
XLogP4.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole 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

5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030
5,7-difluoro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115508228
4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
CID 115508677
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041
2-(chloromethyl)-4-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477649
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
2-(chloromethyl)-4,6-difluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008907
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
CID 113325666
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
2-(chloromethyl)-1-(3,5-dimethylphenyl)-4,6-difluorobenzimidazole
CID 115509139

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole (CID 115509302) is 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole is CC(Cc1ccco1)n1c(CCl)nc2c(F)cc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
The InChIKey is TYPGSFKHRSLWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-9(5-11-3-2-4-21-11)20-13-7-10(17)6-12(18)15(13)19-14(20)8-16/h2-4,6-7,9H,5,8H2,1H3.
What are the key properties of 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole?
2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole has a molecular weight of 310.73 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole is sourced from PubChem (CID 115509302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).