3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide

C14H10Cl2N4O — CID 63565379

IUPAC3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N4O/c15-8-5-7(6-9(17)12(8)16)13(21)20-14-18-10-3-1-2-4-11(10)19-14/h1-6H,17H2,(H2,18,19,20,21)
InChIKeyCYFKISRZMAUWNR-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.70
Rot. Bonds2

About 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide

3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide (PubChem CID 63565379) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
PubChem CID63565379
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N4O/c15-8-5-7(6-9(17)12(8)16)13(21)20-14-18-10-3-1-2-4-11(10)19-14/h1-6H,17H2,(H2,18,19,20,21)
InChIKeyCYFKISRZMAUWNR-UHFFFAOYSA-N
XLogP3.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide?
The IUPAC name of 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide (CID 63565379) is 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide?
The canonical SMILES for 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide is Nc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide?
The InChIKey is CYFKISRZMAUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-8-5-7(6-9(17)12(8)16)13(21)20-14-18-10-3-1-2-4-11(10)19-14/h1-6H,17H2,(H2,18,19,20,21).
What are the key properties of 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide?
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide is sourced from PubChem (CID 63565379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).