3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide

C14H16ClN3O2 — CID 102670427

IUPAC3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide
SMILESCCCn1ccn(Cc2ccc(C(N)=O)cc2Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-2-5-17-6-7-18(14(17)20)9-11-4-3-10(13(16)19)8-12(11)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,19)
InChIKeyZFMZNXHWGAXPJQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.86
Rot. Bonds5

About 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide

3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide (PubChem CID 102670427) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide
PubChem CID102670427
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide
SMILESCCCn1ccn(Cc2ccc(C(N)=O)cc2Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-2-5-17-6-7-18(14(17)20)9-11-4-3-10(13(16)19)8-12(11)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,19)
InChIKeyZFMZNXHWGAXPJQ-UHFFFAOYSA-N
XLogP1.86
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63811248
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80580041
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
CID 114485990
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
CID 114561799
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
CID 102669228
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzoic acid
CID 80579769
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide (CID 102670427) is 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide is CCCn1ccn(Cc2ccc(C(N)=O)cc2Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide?
The InChIKey is ZFMZNXHWGAXPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-5-17-6-7-18(14(17)20)9-11-4-3-10(13(16)19)8-12(11)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,19).
What are the key properties of 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide?
3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide has a molecular weight of 293.75 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 102670427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).