2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole

C14H11ClFN3 — CID 43660334

IUPAC2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2Cc1ccncc1
InChIInChI=1S/C14H11ClFN3/c15-8-14-18-12-7-11(16)1-2-13(12)19(14)9-10-3-5-17-6-4-10/h1-7H,8-9H2
InChIKeyYUBQGJKYPRIPKL-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.36
Rot. Bonds3

About 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole

2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole (PubChem CID 43660334) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
PubChem CID43660334
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2Cc1ccncc1
InChIInChI=1S/C14H11ClFN3/c15-8-14-18-12-7-11(16)1-2-13(12)19(14)9-10-3-5-17-6-4-10/h1-7H,8-9H2
InChIKeyYUBQGJKYPRIPKL-UHFFFAOYSA-N
XLogP3.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.36
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

2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
2-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]-5-fluorobenzimidazole
CID 106005367
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
CID 63795004
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609
5-[[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 114186588
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
N-[2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 43659969

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole (CID 43660334) is 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole is Fc1ccc2c(c1)nc(CCl)n2Cc1ccncc1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole?
The InChIKey is YUBQGJKYPRIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-8-14-18-12-7-11(16)1-2-13(12)19(14)9-10-3-5-17-6-4-10/h1-7H,8-9H2.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole has a molecular weight of 275.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 43660334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).