4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide

C16H12ClF2N3O2 — CID 51127653

IUPAC4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccc(Cl)cc1OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H12ClF2N3O2/c17-9-5-6-10(15(20)23)13(7-9)24-8-14-21-11-3-1-2-4-12(11)22(14)16(18)19/h1-7,16H,8H2,(H2,20,23)
InChIKeySPHDJFAUECWIPA-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.76
Rot. Bonds5

About 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide

4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide (PubChem CID 51127653) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
PubChem CID51127653
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Name4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccc(Cl)cc1OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H12ClF2N3O2/c17-9-5-6-10(15(20)23)13(7-9)24-8-14-21-11-3-1-2-4-12(11)22(14)16(18)19/h1-7,16H,8H2,(H2,20,23)
InChIKeySPHDJFAUECWIPA-UHFFFAOYSA-N
XLogP3.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
CID 16625202
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 55527982
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 16625178
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 16625060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide?
The IUPAC name of 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide (CID 51127653) is 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide?
The canonical SMILES for 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide is NC(=O)c1ccc(Cl)cc1OCc1nc2ccccc2n1C(F)F.
What is the InChIKey of 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide?
The InChIKey is SPHDJFAUECWIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c17-9-5-6-10(15(20)23)13(7-9)24-8-14-21-11-3-1-2-4-12(11)22(14)16(18)19/h1-7,16H,8H2,(H2,20,23).
What are the key properties of 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide?
4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide has a molecular weight of 351.74 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 51127653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).