N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide

C19H12ClFN4O — CID 141279216

IUPACN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1ccccn1
InChIInChI=1S/C19H12ClFN4O/c20-13-7-12(8-14(21)10-13)11-4-5-15-17(9-11)24-19(23-15)25-18(26)16-3-1-2-6-22-16/h1-10H,(H2,23,24,25,26)
InChIKeyRETPTMPUOZIJIW-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.67
Rot. Bonds3

About N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 141279216) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID141279216
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1ccccn1
InChIInChI=1S/C19H12ClFN4O/c20-13-7-12(8-14(21)10-13)11-4-5-15-17(9-11)24-19(23-15)25-18(26)16-3-1-2-6-22-16/h1-10H,(H2,23,24,25,26)
InChIKeyRETPTMPUOZIJIW-UHFFFAOYSA-N
XLogP4.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide (CID 141279216) is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1ccccn1.
What is the InChIKey of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is RETPTMPUOZIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-13-7-12(8-14(21)10-13)11-4-5-15-17(9-11)24-19(23-15)25-18(26)16-3-1-2-6-22-16/h1-10H,(H2,23,24,25,26).
What are the key properties of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 366.78 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 141279216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).