[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate

C18H13Cl2F2N3O3 — CID 16625060

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C18H13Cl2F2N3O3/c19-11-6-5-10(7-12(11)20)17(27)23-8-16(26)28-9-15-24-13-3-1-2-4-14(13)25(15)18(21)22/h1-7,18H,8-9H2,(H,23,27)
InChIKeyMQQABXJITXFJGH-UHFFFAOYSA-N
MW428.22 g/mol
LogP4.21
Rot. Bonds6

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 16625060) has the molecular formula C18H13Cl2F2N3O3 and a molecular weight of 428.22 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID16625060
Molecular FormulaC18H13Cl2F2N3O3
Molecular Weight428.22 g/mol
Exact Mass427.03
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C18H13Cl2F2N3O3/c19-11-6-5-10(7-12(11)20)17(27)23-8-16(26)28-9-15-24-13-3-1-2-4-14(13)25(15)18(21)22/h1-7,18H,8-9H2,(H,23,27)
InChIKeyMQQABXJITXFJGH-UHFFFAOYSA-N
XLogP4.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 16624732
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 55527982
4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
CID 51127653
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 16625230

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 16625060) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCc1nc2ccccc2n1C(F)F.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is MQQABXJITXFJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F2N3O3/c19-11-6-5-10(7-12(11)20)17(27)23-8-16(26)28-9-15-24-13-3-1-2-4-14(13)25(15)18(21)22/h1-7,18H,8-9H2,(H,23,27).
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 428.22 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 16625060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).