4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide

C20H13ClFN3O — CID 100580067

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C20H13ClFN3O/c21-14-9-10-17-18(11-14)24-19(23-17)12-5-7-13(8-6-12)20(26)25-16-4-2-1-3-15(16)22/h1-11H,(H,23,24)(H,25,26)
InChIKeyITJGVNWHUIIAJP-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.27
Rot. Bonds3

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide (PubChem CID 100580067) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
PubChem CID100580067
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C20H13ClFN3O/c21-14-9-10-17-18(11-14)24-19(23-17)12-5-7-13(8-6-12)20(26)25-16-4-2-1-3-15(16)22/h1-11H,(H,23,24)(H,25,26)
InChIKeyITJGVNWHUIIAJP-UHFFFAOYSA-N
XLogP5.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100580774
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
CID 44534673
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide (CID 100580067) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide?
The InChIKey is ITJGVNWHUIIAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-14-9-10-17-18(11-14)24-19(23-17)12-5-7-13(8-6-12)20(26)25-16-4-2-1-3-15(16)22/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide has a molecular weight of 365.80 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 100580067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).