1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone

C14H14ClN5O — CID 12763793

IUPAC1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1ccnn1-c1ccccc1Cl
InChIInChI=1S/C14H14ClN5O/c1-10(21)19-9-8-16-14(19)18-13-6-7-17-20(13)12-5-3-2-4-11(12)15/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyCQKFOCNGRWXELE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.16
Rot. Bonds2

About 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone

1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 12763793) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID12763793
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1ccnn1-c1ccccc1Cl
InChIInChI=1S/C14H14ClN5O/c1-10(21)19-9-8-16-14(19)18-13-6-7-17-20(13)12-5-3-2-4-11(12)15/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyCQKFOCNGRWXELE-UHFFFAOYSA-N
XLogP2.16
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
CID 12763795
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
CID 13189171
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
(4-chlorophenyl)-[2-(2,3-dichloroanilino)-4,5-dihydroimidazol-1-yl]methanone
CID 13189163
[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23465952
5-[(E)-but-2-en-2-yl]-1-(2-chlorophenyl)-1,2,4-triazole
CID 88968227
1-(2-chlorophenyl)-6-methyl-N-(4-methylpiperazin-1-yl)-4-oxopyridazine-3-carboxamide
CID 9075107
2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 154494235
1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 24503215
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 49488043
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
CID 41402611
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone (CID 12763793) is 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CCN=C1Nc1ccnn1-c1ccccc1Cl.
What is the InChIKey of 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is CQKFOCNGRWXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-10(21)19-9-8-16-14(19)18-13-6-7-17-20(13)12-5-3-2-4-11(12)15/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone?
1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 303.75 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2-chlorophenyl)pyrazol-3-yl]amino]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 12763793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).