2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde

C26H18FN3O2 — CID 170347737

IUPAC2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde
SMILESCOc1ccc2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)[nH]3)c(C=O)c2c1
InChIInChI=1S/C26H18FN3O2/c1-32-20-8-4-16-5-9-21(23(15-31)22(16)14-20)26-29-24(17-2-6-19(27)7-3-17)25(30-26)18-10-12-28-13-11-18/h2-15H,1H3,(H,29,30)
InChIKeyBZRUCWMUUKBOPC-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.92
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde

2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde (PubChem CID 170347737) has the molecular formula C26H18FN3O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde
PubChem CID170347737
Molecular FormulaC26H18FN3O2
Molecular Weight423.45 g/mol
Exact Mass423.14
IUPAC Name2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde
SMILESCOc1ccc2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)[nH]3)c(C=O)c2c1
InChIInChI=1S/C26H18FN3O2/c1-32-20-8-4-16-5-9-21(23(15-31)22(16)14-20)26-29-24(17-2-6-19(27)7-3-17)25(30-26)18-10-12-28-13-11-18/h2-15H,1H3,(H,29,30)
InChIKeyBZRUCWMUUKBOPC-UHFFFAOYSA-N
XLogP5.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine
CID 10066912
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
CID 57341687
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide
CID 70074952
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 67791490
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
4-[2-(4-ethylthiophen-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 18771535
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde (CID 170347737) is 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde is COc1ccc2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)[nH]3)c(C=O)c2c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde?
The InChIKey is BZRUCWMUUKBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2/c1-32-20-8-4-16-5-9-21(23(15-31)22(16)14-20)26-29-24(17-2-6-19(27)7-3-17)25(30-26)18-10-12-28-13-11-18/h2-15H,1H3,(H,29,30).
What are the key properties of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde?
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde has a molecular weight of 423.45 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 170347737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).