8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one

C20H26N4O — CID 144617626

IUPAC8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one
SMILESCC(=O)CCCCCCc1ncc(-c2ccc(N3CCC=N3)cc2)[nH]1
InChIInChI=1S/C20H26N4O/c1-16(25)7-4-2-3-5-8-20-21-15-19(23-20)17-9-11-18(12-10-17)24-14-6-13-22-24/h9-13,15H,2-8,14H2,1H3,(H,21,23)
InChIKeyGPFGFRNXKWQFCS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.35
Rot. Bonds9

About 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one

8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one (PubChem CID 144617626) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one.

Molecular Properties

Compound Name8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one
PubChem CID144617626
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one
SMILESCC(=O)CCCCCCc1ncc(-c2ccc(N3CCC=N3)cc2)[nH]1
InChIInChI=1S/C20H26N4O/c1-16(25)7-4-2-3-5-8-20-21-15-19(23-20)17-9-11-18(12-10-17)24-14-6-13-22-24/h9-13,15H,2-8,14H2,1H3,(H,21,23)
InChIKeyGPFGFRNXKWQFCS-UHFFFAOYSA-N
XLogP4.35
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal
CID 130373888
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
CID 123956504
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
7-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-imidazol-2-yl]heptanal
CID 130373774
methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide
CID 144617636
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxooctyl]-1-methylpiperidine-4-carboxamide
CID 44589632
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 155232141

Frequently Asked Questions

What is the IUPAC name of 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one?
The IUPAC name of 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one (CID 144617626) is 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one.
What is the SMILES notation for 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one?
The canonical SMILES for 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one is CC(=O)CCCCCCc1ncc(-c2ccc(N3CCC=N3)cc2)[nH]1.
What is the InChIKey of 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one?
The InChIKey is GPFGFRNXKWQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(25)7-4-2-3-5-8-20-21-15-19(23-20)17-9-11-18(12-10-17)24-14-6-13-22-24/h9-13,15H,2-8,14H2,1H3,(H,21,23).
What are the key properties of 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one?
8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one has a molecular weight of 338.45 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one is sourced from PubChem (CID 144617626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).