2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide

C21H16Cl2N4O2 — CID 22663228

IUPAC2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(Cc3ccccc3)[nH]c12
InChIInChI=1S/C21H16Cl2N4O2/c1-29-16-8-7-13(21(28)27-19-14(22)10-24-11-15(19)23)18-20(16)26-17(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,25,26)(H,24,27,28)
InChIKeyJWNVKTDNDORZTE-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.12
Rot. Bonds5

About 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide

2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide (PubChem CID 22663228) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
PubChem CID22663228
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(Cc3ccccc3)[nH]c12
InChIInChI=1S/C21H16Cl2N4O2/c1-29-16-8-7-13(21(28)27-19-14(22)10-24-11-15(19)23)18-20(16)26-17(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,25,26)(H,24,27,28)
InChIKeyJWNVKTDNDORZTE-UHFFFAOYSA-N
XLogP5.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide (CID 22663228) is 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(Cc3ccccc3)[nH]c12.
What is the InChIKey of 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The InChIKey is JWNVKTDNDORZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-29-16-8-7-13(21(28)27-19-14(22)10-24-11-15(19)23)18-20(16)26-17(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,25,26)(H,24,27,28).
What are the key properties of 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide has a molecular weight of 427.29 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22663228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).