(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone

C18H18FN3O3 — CID 90905665

IUPAC(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone
SMILESCC(C)n1cc(C(=O)c2cnc(Cc3ccc(F)cc3)[nH]2)c(O)c1O
InChIInChI=1S/C18H18FN3O3/c1-10(2)22-9-13(17(24)18(22)25)16(23)14-8-20-15(21-14)7-11-3-5-12(19)6-4-11/h3-6,8-10,24-25H,7H2,1-2H3,(H,20,21)
InChIKeyQYGWHIABTBEXAM-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.16
Rot. Bonds5

About (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone

(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone (PubChem CID 90905665) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Name(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone
PubChem CID90905665
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone
SMILESCC(C)n1cc(C(=O)c2cnc(Cc3ccc(F)cc3)[nH]2)c(O)c1O
InChIInChI=1S/C18H18FN3O3/c1-10(2)22-9-13(17(24)18(22)25)16(23)14-8-20-15(21-14)7-11-3-5-12(19)6-4-11/h3-6,8-10,24-25H,7H2,1-2H3,(H,20,21)
InChIKeyQYGWHIABTBEXAM-UHFFFAOYSA-N
XLogP3.16
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-(5-hydroxy-4-methoxy-1-propan-2-ylpyrrol-3-yl)methanone
CID 91400158
methyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62331146
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 82300474
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62904204
4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol
CID 91261264
2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 43654591
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
CID 90847780
2-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62097622
7-chloro-2-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 58763024

Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone?
The IUPAC name of (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone (CID 90905665) is (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone.
What is the SMILES notation for (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone?
The canonical SMILES for (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone is CC(C)n1cc(C(=O)c2cnc(Cc3ccc(F)cc3)[nH]2)c(O)c1O.
What is the InChIKey of (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone?
The InChIKey is QYGWHIABTBEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-10(2)22-9-13(17(24)18(22)25)16(23)14-8-20-15(21-14)7-11-3-5-12(19)6-4-11/h3-6,8-10,24-25H,7H2,1-2H3,(H,20,21).
What are the key properties of (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone?
(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone has a molecular weight of 343.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 90905665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).