2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole

C14H17ClF2N2 — CID 63004461

IUPAC2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H17ClF2N2/c1-9(2)4-3-7-19-12(8-15)18-11-6-5-10(16)13(17)14(11)19/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyBELZKPCSMLAPQY-UHFFFAOYSA-N
MW286.75 g/mol
LogP4.49
Rot. Bonds5

About 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole

2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole (PubChem CID 63004461) has the molecular formula C14H17ClF2N2 and a molecular weight of 286.75 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
PubChem CID63004461
Molecular FormulaC14H17ClF2N2
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H17ClF2N2/c1-9(2)4-3-7-19-12(8-15)18-11-6-5-10(16)13(17)14(11)19/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyBELZKPCSMLAPQY-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6,7-difluoro-1-octylbenzimidazole
CID 115569242
2-(chloromethyl)-6,7-difluoro-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 62993069
2-(chloromethyl)-1-(2-ethylhexyl)-6,7-difluorobenzimidazole
CID 107817185
2-(2-chloroethyl)-6,7-difluoro-1-(4-methoxybutyl)benzimidazole
CID 62532053
2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763416
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 62533402
2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106295132
2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
5-[[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 62532068
methyl 3-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]propanoate
CID 55086421
4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
CID 62533395
2-(2-chloroethyl)-1-(2,3-dimethylbutyl)-6,7-difluorobenzimidazole
CID 64596576

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole (CID 63004461) is 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole is CC(C)CCCn1c(CCl)nc2ccc(F)c(F)c21.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole?
The InChIKey is BELZKPCSMLAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2/c1-9(2)4-3-7-19-12(8-15)18-11-6-5-10(16)13(17)14(11)19/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole has a molecular weight of 286.75 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole is sourced from PubChem (CID 63004461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).