N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C23H17ClF2N6O — CID 67289032

IUPACN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)c1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
InChIInChI=1S/C23H17ClF2N6O/c1-31(2)20-9-16(26)10-32-11-19(27-21(20)32)22(33)30-23-28-17-4-3-12(7-18(17)29-23)13-5-14(24)8-15(25)6-13/h3-11H,1-2H3,(H2,28,29,30,33)
InChIKeyPZSAAESKFPETMC-UHFFFAOYSA-N
MW466.88 g/mol
LogP5.13
Rot. Bonds4

About N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67289032) has the molecular formula C23H17ClF2N6O and a molecular weight of 466.88 g/mol. Its IUPAC name is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67289032
Molecular FormulaC23H17ClF2N6O
Molecular Weight466.88 g/mol
Exact Mass466.11
IUPAC NameN-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)c1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12
InChIInChI=1S/C23H17ClF2N6O/c1-31(2)20-9-16(26)10-32-11-19(27-21(20)32)22(33)30-23-28-17-4-3-12(7-18(17)29-23)13-5-14(24)8-15(25)6-13/h3-11H,1-2H3,(H2,28,29,30,33)
InChIKeyPZSAAESKFPETMC-UHFFFAOYSA-N
XLogP5.13
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 67289032) is N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is CN(C)c1cc(F)cn2cc(C(=O)Nc3nc4ccc(-c5cc(F)cc(Cl)c5)cc4[nH]3)nc12.
What is the InChIKey of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PZSAAESKFPETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N6O/c1-31(2)20-9-16(26)10-32-11-19(27-21(20)32)22(33)30-23-28-17-4-3-12(7-18(17)29-23)13-5-14(24)8-15(25)6-13/h3-11H,1-2H3,(H2,28,29,30,33).
What are the key properties of N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 466.88 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67289032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).