4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide

C20H13ClFN3O — CID 25352298

IUPAC4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H13ClFN3O/c21-15-4-3-6-17(19(15)22)24-20(26)13-8-10-14(11-9-13)25-12-23-16-5-1-2-7-18(16)25/h1-12H,(H,24,26)
InChIKeyCVDQSQJHLKQSIL-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.07
Rot. Bonds3

About 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide

4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide (PubChem CID 25352298) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide
PubChem CID25352298
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H13ClFN3O/c21-15-4-3-6-17(19(15)22)24-20(26)13-8-10-14(11-9-13)25-12-23-16-5-1-2-7-18(16)25/h1-12H,(H,24,26)
InChIKeyCVDQSQJHLKQSIL-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18225982
methyl 3-[[4-(benzimidazol-1-yl)benzoyl]amino]-2-hydroxybenzoate
CID 56576163
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
CID 55379419
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
CID 60610861

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide (CID 25352298) is 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide is O=C(Nc1cccc(Cl)c1F)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide?
The InChIKey is CVDQSQJHLKQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-15-4-3-6-17(19(15)22)24-20(26)13-8-10-14(11-9-13)25-12-23-16-5-1-2-7-18(16)25/h1-12H,(H,24,26).
What are the key properties of 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide?
4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide has a molecular weight of 365.80 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 25352298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).