2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole

C14H14ClFN4 — CID 103593623

IUPAC2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1cc2c(cc1F)nc(CCl)n2Cc1cnn(C)c1
InChIInChI=1S/C14H14ClFN4/c1-9-3-13-12(4-11(9)16)18-14(5-15)20(13)8-10-6-17-19(2)7-10/h3-4,6-7H,5,8H2,1-2H3
InChIKeyTUNMAORBZSOMTH-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.00
Rot. Bonds3

About 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole

2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole (PubChem CID 103593623) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
PubChem CID103593623
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1cc2c(cc1F)nc(CCl)n2Cc1cnn(C)c1
InChIInChI=1S/C14H14ClFN4/c1-9-3-13-12(4-11(9)16)18-14(5-15)20(13)8-10-6-17-19(2)7-10/h3-4,6-7H,5,8H2,1-2H3
InChIKeyTUNMAORBZSOMTH-UHFFFAOYSA-N
XLogP3.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 103593596
2-(chloromethyl)-5-fluoro-6-methyl-1-(2-methylsulfinylethyl)benzimidazole
CID 103593989
2-(chloromethyl)-5-fluoro-6-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 103593897
2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
CID 103593765
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020601
1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 103593564
4-chloro-2-(chloromethyl)-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
CID 113459143
2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 103593695
2-(chloromethyl)-5-fluoro-6-methyl-1-(thian-2-ylmethyl)benzimidazole
CID 103593869
5-(chloromethyl)-1,3-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole
CID 79287958
3-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 103593840
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole (CID 103593623) is 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole is Cc1cc2c(cc1F)nc(CCl)n2Cc1cnn(C)c1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole?
The InChIKey is TUNMAORBZSOMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c1-9-3-13-12(4-11(9)16)18-14(5-15)20(13)8-10-6-17-19(2)7-10/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole?
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole has a molecular weight of 292.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole is sourced from PubChem (CID 103593623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).