N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide

C20H12ClF2N3O — CID 26264638

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C20H12ClF2N3O/c21-14-10-16(23)15(22)9-13(14)20(27)24-12-7-5-11(6-8-12)19-25-17-3-1-2-4-18(17)26-19/h1-10H,(H,24,27)(H,25,26)
InChIKeyJLSIMLRYFNAZKJ-UHFFFAOYSA-N
MW383.79 g/mol
LogP5.41
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide (PubChem CID 26264638) has the molecular formula C20H12ClF2N3O and a molecular weight of 383.79 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
PubChem CID26264638
Molecular FormulaC20H12ClF2N3O
Molecular Weight383.79 g/mol
Exact Mass383.06
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C20H12ClF2N3O/c21-14-10-16(23)15(22)9-13(14)20(27)24-12-7-5-11(6-8-12)19-25-17-3-1-2-4-18(17)26-19/h1-10H,(H,24,27)(H,25,26)
InChIKeyJLSIMLRYFNAZKJ-UHFFFAOYSA-N
XLogP5.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.79
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide 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

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
CID 166207622
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39088716
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide (CID 26264638) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide?
The InChIKey is JLSIMLRYFNAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O/c21-14-10-16(23)15(22)9-13(14)20(27)24-12-7-5-11(6-8-12)19-25-17-3-1-2-4-18(17)26-19/h1-10H,(H,24,27)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide has a molecular weight of 383.79 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide is sourced from PubChem (CID 26264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).