N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide

C14H10Cl2N4O — CID 105055625

IUPACN-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H10Cl2N4O/c15-9-6-17-12(16)5-8(9)14(21)18-7-13-19-10-3-1-2-4-11(10)20-13/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyKRUXJODZHOULMP-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.19
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide (PubChem CID 105055625) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
PubChem CID105055625
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H10Cl2N4O/c15-9-6-17-12(16)5-8(9)14(21)18-7-13-19-10-3-1-2-4-11(10)20-13/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyKRUXJODZHOULMP-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.19
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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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
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N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide (CID 105055625) is N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)ncc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide?
The InChIKey is KRUXJODZHOULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-9-6-17-12(16)5-8(9)14(21)18-7-13-19-10-3-1-2-4-11(10)20-13/h1-6H,7H2,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide is sourced from PubChem (CID 105055625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).