5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide

C13H14Cl2N4O — CID 107185960

IUPAC5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCCc2ncc[nH]2)c1
InChIInChI=1S/C13H14Cl2N4O/c14-10-7-8(16)6-9(12(10)15)13(20)19-3-1-2-11-17-4-5-18-11/h4-7H,1-3,16H2,(H,17,18)(H,19,20)
InChIKeyNGQNESKJWCQEPG-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.66
Rot. Bonds5

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

5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide (PubChem CID 107185960) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
PubChem CID107185960
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCCc2ncc[nH]2)c1
InChIInChI=1S/C13H14Cl2N4O/c14-10-7-8(16)6-9(12(10)15)13(20)19-3-1-2-11-17-4-5-18-11/h4-7H,1-3,16H2,(H,17,18)(H,19,20)
InChIKeyNGQNESKJWCQEPG-UHFFFAOYSA-N
XLogP2.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide (CID 107185960) is 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCCCc2ncc[nH]2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
The InChIKey is NGQNESKJWCQEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c14-10-7-8(16)6-9(12(10)15)13(20)19-3-1-2-11-17-4-5-18-11/h4-7H,1-3,16H2,(H,17,18)(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide?
5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 107185960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).