ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate

C16H12Cl2FN3O2 — CID 66910241

IUPACethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1c(F)ccc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C16H12Cl2FN3O2/c1-2-24-15(23)12-9(19)6-7-11-14(12)22-16(21-11)20-10-5-3-4-8(17)13(10)18/h3-7H,2H2,1H3,(H2,20,21,22)
InChIKeyNWMRCCZUWRDXBI-UHFFFAOYSA-N
MW368.20 g/mol
LogP4.93
Rot. Bonds4

About ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate

ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate (PubChem CID 66910241) has the molecular formula C16H12Cl2FN3O2 and a molecular weight of 368.20 g/mol. Its IUPAC name is ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate
PubChem CID66910241
Molecular FormulaC16H12Cl2FN3O2
Molecular Weight368.20 g/mol
Exact Mass367.03
IUPAC Nameethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1c(F)ccc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C16H12Cl2FN3O2/c1-2-24-15(23)12-9(19)6-7-11-14(12)22-16(21-11)20-10-5-3-4-8(17)13(10)18/h3-7H,2H2,1H3,(H2,20,21,22)
InChIKeyNWMRCCZUWRDXBI-UHFFFAOYSA-N
XLogP4.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(dimethylamino)methyl]-5-fluoro-1H-benzimidazole-4-carboxylate
CID 70825420
2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid
CID 11473191
ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 168908312
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095
ethyl 2-(2,6-difluoroanilino)-3H-benzimidazole-5-carboxylate
CID 82563145
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
5-benzylsulfonyl-2-(3-chloro-2-methylanilino)-1H-benzimidazole-4-carboxylic acid
CID 70849216
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl 2-amino-5-(2,3-dichloroanilino)benzoate
CID 63425312
ethyl 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylate
CID 82563178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate (CID 66910241) is ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate is CCOC(=O)c1c(F)ccc2[nH]c(Nc3cccc(Cl)c3Cl)nc12.
What is the InChIKey of ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate?
The InChIKey is NWMRCCZUWRDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O2/c1-2-24-15(23)12-9(19)6-7-11-14(12)22-16(21-11)20-10-5-3-4-8(17)13(10)18/h3-7H,2H2,1H3,(H2,20,21,22).
What are the key properties of ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate?
ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate has a molecular weight of 368.20 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 66910241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).