7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal

C19H24N4O — CID 130373888

IUPAC7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal
SMILESO=CCCCCCCc1ncc(-c2ccc(N3CCC=N3)cc2)[nH]1
InChIInChI=1S/C19H24N4O/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23/h8-12,14-15H,1-7,13H2,(H,20,22)
InChIKeyULQPTFKJKHMCOQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.96
Rot. Bonds9

About 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal

7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal (PubChem CID 130373888) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal.

Molecular Properties

Compound Name7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal
PubChem CID130373888
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal
SMILESO=CCCCCCCc1ncc(-c2ccc(N3CCC=N3)cc2)[nH]1
InChIInChI=1S/C19H24N4O/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23/h8-12,14-15H,1-7,13H2,(H,20,22)
InChIKeyULQPTFKJKHMCOQ-UHFFFAOYSA-N
XLogP3.96
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one
CID 144617626
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
2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617595
3-[2-[(Z)-aminomethylideneamino]-4,6-dimethylpyrimidin-5-yl]propanamide;ethane;N-methylmethanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617535
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
3-(1,3-benzothiazol-2-yl)-N-methylpropanamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617541
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-heptyl-5-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-1H-imidazole
CID 130373680
N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine
CID 70074424
methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal
CID 144617555
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 155232141

Frequently Asked Questions

What is the IUPAC name of 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal?
The IUPAC name of 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal (CID 130373888) is 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal.
What is the SMILES notation for 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal?
The canonical SMILES for 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal is O=CCCCCCCc1ncc(-c2ccc(N3CCC=N3)cc2)[nH]1.
What is the InChIKey of 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal?
The InChIKey is ULQPTFKJKHMCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23/h8-12,14-15H,1-7,13H2,(H,20,22).
What are the key properties of 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal?
7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal has a molecular weight of 324.43 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal is sourced from PubChem (CID 130373888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).