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

C11H10Cl2N4O — CID 82832444

IUPAC4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)NCc2ncc[nH]2)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c12-7-3-6(4-8(13)10(7)14)11(18)17-5-9-15-1-2-16-9/h1-4H,5,14H2,(H,15,16)(H,17,18)
InChIKeyBKDOMNVVOBYNMD-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.23
Rot. Bonds3

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

4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide (PubChem CID 82832444) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
PubChem CID82832444
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)NCc2ncc[nH]2)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c12-7-3-6(4-8(13)10(7)14)11(18)17-5-9-15-1-2-16-9/h1-4H,5,14H2,(H,15,16)(H,17,18)
InChIKeyBKDOMNVVOBYNMD-UHFFFAOYSA-N
XLogP2.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.23
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

4-amino-3-chloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64525774
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
3,4-dichloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64532271
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
CID 131107437
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide (CID 82832444) is 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide is Nc1c(Cl)cc(C(=O)NCc2ncc[nH]2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide?
The InChIKey is BKDOMNVVOBYNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-7-3-6(4-8(13)10(7)14)11(18)17-5-9-15-1-2-16-9/h1-4H,5,14H2,(H,15,16)(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide?
4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 285.13 g/mol, XLogP of 2.23, 3 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-ylmethyl)benzamide is sourced from PubChem (CID 82832444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).