4-chloro-N-(2-imidazol-1-ylethyl)benzamide

C12H12ClN3O — CID 47019718

IUPAC4-chloro-N-(2-imidazol-1-ylethyl)benzamide
SMILESO=C(NCCn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-11-3-1-10(2-4-11)12(17)15-6-8-16-7-5-14-9-16/h1-5,7,9H,6,8H2,(H,15,17)
InChIKeyPFVGCDFEXWLYIH-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.97
Rot. Bonds4

About 4-chloro-N-(2-imidazol-1-ylethyl)benzamide

4-chloro-N-(2-imidazol-1-ylethyl)benzamide (PubChem CID 47019718) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-(2-imidazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-imidazol-1-ylethyl)benzamide
PubChem CID47019718
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-(2-imidazol-1-ylethyl)benzamide
SMILESO=C(NCCn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-11-3-1-10(2-4-11)12(17)15-6-8-16-7-5-14-9-16/h1-5,7,9H,6,8H2,(H,15,17)
InChIKeyPFVGCDFEXWLYIH-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
5-chloro-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 60630197
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-imidazol-1-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-imidazol-1-ylethyl)benzamide (CID 47019718) is 4-chloro-N-(2-imidazol-1-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-imidazol-1-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-imidazol-1-ylethyl)benzamide is O=C(NCCn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-imidazol-1-ylethyl)benzamide?
The InChIKey is PFVGCDFEXWLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-3-1-10(2-4-11)12(17)15-6-8-16-7-5-14-9-16/h1-5,7,9H,6,8H2,(H,15,17).
What are the key properties of 4-chloro-N-(2-imidazol-1-ylethyl)benzamide?
4-chloro-N-(2-imidazol-1-ylethyl)benzamide has a molecular weight of 249.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-imidazol-1-ylethyl)benzamide is sourced from PubChem (CID 47019718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).