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

C21H12Cl2FN5O — CID 87073863

IUPAC5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2c(Cl)cccc2n1
InChIInChI=1S/C21H12Cl2FN5O/c22-13-6-12(7-14(24)9-13)11-4-5-15-16(8-11)27-21(26-15)28-20(30)17-10-29-18(23)2-1-3-19(29)25-17/h1-10H,(H2,26,27,28,30)
InChIKeyFUVSFCHIFXIHCF-UHFFFAOYSA-N
MW440.27 g/mol
LogP5.58
Rot. Bonds3

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

5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 87073863) has the molecular formula C21H12Cl2FN5O and a molecular weight of 440.27 g/mol. Its IUPAC name is 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID87073863
Molecular FormulaC21H12Cl2FN5O
Molecular Weight440.27 g/mol
Exact Mass439.04
IUPAC Name5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2c(Cl)cccc2n1
InChIInChI=1S/C21H12Cl2FN5O/c22-13-6-12(7-14(24)9-13)11-4-5-15-16(8-11)27-21(26-15)28-20(30)17-10-29-18(23)2-1-3-19(29)25-17/h1-10H,(H2,26,27,28,30)
InChIKeyFUVSFCHIFXIHCF-UHFFFAOYSA-N
XLogP5.58
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.27
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67291380
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
CID 141279216
6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290201
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 67289032
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 67291129
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 67291402
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 67290065
N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67289782
5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290214
N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67290095
5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290513
5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67288941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 87073863) is 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2c(Cl)cccc2n1.
What is the InChIKey of 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FUVSFCHIFXIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2FN5O/c22-13-6-12(7-14(24)9-13)11-4-5-15-16(8-11)27-21(26-15)28-20(30)17-10-29-18(23)2-1-3-19(29)25-17/h1-10H,(H2,26,27,28,30).
What are the key properties of 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 440.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 87073863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).