2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole

C14H16ClFN2O — CID 63597568

IUPAC2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole
SMILESCOc1cc2c(cc1F)nc(CCl)n2C(C)C1CC1
InChIInChI=1S/C14H16ClFN2O/c1-8(9-3-4-9)18-12-6-13(19-2)10(16)5-11(12)17-14(18)7-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyCZLQQKFNKBXETC-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.89
Rot. Bonds4

About 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole

2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole (PubChem CID 63597568) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole
PubChem CID63597568
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole
SMILESCOc1cc2c(cc1F)nc(CCl)n2C(C)C1CC1
InChIInChI=1S/C14H16ClFN2O/c1-8(9-3-4-9)18-12-6-13(19-2)10(16)5-11(12)17-14(18)7-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyCZLQQKFNKBXETC-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole 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

1-butan-2-yl-2-(chloromethyl)-5-fluoro-6-methoxybenzimidazole
CID 63598249
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029
1-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 63598965
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654
2-(chloromethyl)-5-fluoro-1-(1-methoxypropan-2-yl)-6-methylbenzimidazole
CID 103593202
2-(chloromethyl)-5-fluoro-6-methoxy-1-(oxan-2-ylmethyl)benzimidazole
CID 63598792
2-(chloromethyl)-5-fluoro-6-methoxy-1-pentylbenzimidazole
CID 63598932
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393
2-(2-chloroethyl)-1-(1-cyclopentylethyl)-6-fluoro-5-iodobenzimidazole
CID 66093036
2-(2-chloroethyl)-5-fluoro-6-methyl-1-[1-(oxolan-3-yl)ethyl]benzimidazole
CID 103594068
2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
CID 63598961

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole (CID 63597568) is 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole is COc1cc2c(cc1F)nc(CCl)n2C(C)C1CC1.
What is the InChIKey of 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole?
The InChIKey is CZLQQKFNKBXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-8(9-3-4-9)18-12-6-13(19-2)10(16)5-11(12)17-14(18)7-15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole?
2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole has a molecular weight of 282.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole is sourced from PubChem (CID 63597568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).