2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide

C14H16Cl2FN3O — CID 66112385

IUPAC2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H16Cl2FN3O/c1-8(14(21)19(2)3)20-12-7-10(17)9(16)6-11(12)18-13(20)4-5-15/h6-8H,4-5H2,1-3H3
InChIKeyMXZWWLVZAJHFPZ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.26
Rot. Bonds4

About 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide

2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 66112385) has the molecular formula C14H16Cl2FN3O and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
PubChem CID66112385
Molecular FormulaC14H16Cl2FN3O
Molecular Weight332.21 g/mol
Exact Mass331.07
IUPAC Name2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H16Cl2FN3O/c1-8(14(21)19(2)3)20-12-7-10(17)9(16)6-11(12)18-13(20)4-5-15/h6-8H,4-5H2,1-3H3
InChIKeyMXZWWLVZAJHFPZ-UHFFFAOYSA-N
XLogP3.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.26
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-(2-chloroethyl)-4,6-difluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 115509291
5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
CID 66111033
2-[2-(2-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]-N-methylpropanamide
CID 66093641
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66110246
methyl 2-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 61499559
2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112366
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
CID 82145985
2-(5-chloro-6-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)-N,N-dimethylpropanamide
CID 66076904
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 115471248
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950751

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide (CID 66112385) is 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1c(CCCl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is MXZWWLVZAJHFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FN3O/c1-8(14(21)19(2)3)20-12-7-10(17)9(16)6-11(12)18-13(20)4-5-15/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide?
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 332.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 66112385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).