5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide

C13H15ClFN3O — CID 106240434

IUPAC5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
SMILESNC(=O)CCCCn1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C13H15ClFN3O/c14-8-13-17-10-7-9(15)4-5-11(10)18(13)6-2-1-3-12(16)19/h4-5,7H,1-3,6,8H2,(H2,16,19)
InChIKeyQLTBMNMYLRYETA-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.57
Rot. Bonds6

About 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide

5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide (PubChem CID 106240434) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide.

Molecular Properties

Compound Name5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
PubChem CID106240434
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
SMILESNC(=O)CCCCn1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C13H15ClFN3O/c14-8-13-17-10-7-9(15)4-5-11(10)18(13)6-2-1-3-12(16)19/h4-5,7H,1-3,6,8H2,(H2,16,19)
InChIKeyQLTBMNMYLRYETA-UHFFFAOYSA-N
XLogP2.57
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
methyl 3-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 61295205
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N,N-diethylacetamide
CID 82332381
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide
CID 43661029
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
CID 90307140
N-[2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 43659969
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
2-(chloromethyl)-5-fluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole
CID 63828636

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide?
The IUPAC name of 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide (CID 106240434) is 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide.
What is the SMILES notation for 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide?
The canonical SMILES for 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide is NC(=O)CCCCn1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide?
The InChIKey is QLTBMNMYLRYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c14-8-13-17-10-7-9(15)4-5-11(10)18(13)6-2-1-3-12(16)19/h4-5,7H,1-3,6,8H2,(H2,16,19).
What are the key properties of 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide?
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide has a molecular weight of 283.73 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide is sourced from PubChem (CID 106240434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).