(1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate

C26H21N3O3 — CID 23888126

IUPAC(1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate
SMILESCCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H21N3O3/c1-2-23(32-26(31)18-13-11-17(12-14-18)24-27-15-16-28-24)25(30)29-21-9-5-3-7-19(21)20-8-4-6-10-22(20)29/h3-16,23H,2H2,1H3,(H,27,28)
InChIKeyHUNNZZCGDCSWOQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.46
Rot. Bonds5

About (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate

(1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23888126) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name(1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate
PubChem CID23888126
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name(1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate
SMILESCCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H21N3O3/c1-2-23(32-26(31)18-13-11-17(12-14-18)24-27-15-16-28-24)25(30)29-21-9-5-3-7-19(21)20-8-4-6-10-22(20)29/h3-16,23H,2H2,1H3,(H,27,28)
InChIKeyHUNNZZCGDCSWOQ-UHFFFAOYSA-N
XLogP5.46
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-anilino-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate
CID 23916279
[1-(4-carbamoylanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23860488
[1-(4-chloroanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23972249
[1-(3,5-dichloroanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23832049
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23999726
[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23944097
[1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl] pyridine-4-carboxylate
CID 23803161
[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23916282
[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23915920
(1-oxo-1-phenothiazin-10-ylbutan-2-yl) 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23744910
4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid
CID 23943930
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23972297

Frequently Asked Questions

What is the IUPAC name of (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate (CID 23888126) is (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate is CCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is HUNNZZCGDCSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-2-23(32-26(31)18-13-11-17(12-14-18)24-27-15-16-28-24)25(30)29-21-9-5-3-7-19(21)20-8-4-6-10-22(20)29/h3-16,23H,2H2,1H3,(H,27,28).
What are the key properties of (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate?
(1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 423.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbazol-9-yl-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23888126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).