4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide

C10H8Cl2N4O — CID 82832514

IUPAC4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H8Cl2N4O/c11-6-3-5(4-7(12)8(6)13)9(17)16-10-14-1-2-15-10/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyNCOWYYSESSMQQO-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.55
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide

4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide (PubChem CID 82832514) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
PubChem CID82832514
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H8Cl2N4O/c11-6-3-5(4-7(12)8(6)13)9(17)16-10-14-1-2-15-10/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyNCOWYYSESSMQQO-UHFFFAOYSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.55
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

3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 82832444
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
CID 55027633
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
CID 60967376
N-(1H-imidazol-2-yl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 113379092
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60968095

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide (CID 82832514) is 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide is Nc1c(Cl)cc(C(=O)Nc2ncc[nH]2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is NCOWYYSESSMQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-6-3-5(4-7(12)8(6)13)9(17)16-10-14-1-2-15-10/h1-4H,13H2,(H2,14,15,16,17).
What are the key properties of 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide?
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 271.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 82832514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).