N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide

C19H12Cl2N4O — CID 4791720

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N4O/c20-14-9-12(10-22-17(14)21)19(26)23-13-7-5-11(6-8-13)18-24-15-3-1-2-4-16(15)25-18/h1-10H,(H,23,26)(H,24,25)
InChIKeyQEVHSGLXRNSHIJ-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.18
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 4791720) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID4791720
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N4O/c20-14-9-12(10-22-17(14)21)19(26)23-13-7-5-11(6-8-13)18-24-15-3-1-2-4-16(15)25-18/h1-10H,(H,23,26)(H,24,25)
InChIKeyQEVHSGLXRNSHIJ-UHFFFAOYSA-N
XLogP5.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide (CID 4791720) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is QEVHSGLXRNSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-14-9-12(10-22-17(14)21)19(26)23-13-7-5-11(6-8-13)18-24-15-3-1-2-4-16(15)25-18/h1-10H,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 383.24 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 4791720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).