[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone

C16H17FN2O4 — CID 167321296

IUPAC[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone
SMILESCOC1(C(=O)c2c(F)ncn2[C@H](C)c2ccccc2)OCCO1
InChIInChI=1S/C16H17FN2O4/c1-11(12-6-4-3-5-7-12)19-10-18-15(17)13(19)14(20)16(21-2)22-8-9-23-16/h3-7,10-11H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyLWZLGJKQBFFUHQ-LLVKDONJSA-N
MW320.32 g/mol
LogP2.16
Rot. Bonds5

About [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone

[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone (PubChem CID 167321296) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone.

Molecular Properties

Compound Name[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone
PubChem CID167321296
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone
SMILESCOC1(C(=O)c2c(F)ncn2[C@H](C)c2ccccc2)OCCO1
InChIInChI=1S/C16H17FN2O4/c1-11(12-6-4-3-5-7-12)19-10-18-15(17)13(19)14(20)16(21-2)22-8-9-23-16/h3-7,10-11H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyLWZLGJKQBFFUHQ-LLVKDONJSA-N
XLogP2.16
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-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

1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2,2-dimethoxyethanone
CID 167321275
1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-[1-(methoxymethyl)cyclobutyl]ethanone
CID 167321518
1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone
CID 167321556
(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 139383408
(1-ethenylcyclohexyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325774
(2-methyl-1-sulfanylidenepropan-2-yl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325686
(4-ethenylthian-4-yl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325866
(2-but-2-ynoxy-1,3-dioxolan-2-yl)-[3-fluoro-1-[(1R)-1-phenylethyl]pyrrol-2-yl]methanone
CID 167321650
S-(2-methylpent-3-yn-2-yl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carbothioate
CID 155325847
S-(3-propa-1,2-dienylthietan-3-yl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carbothioate
CID 155643820
hept-6-en-4-yn-3-yl 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325679
2-methylhex-5-en-3-yn-2-yl 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325933

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone?
The IUPAC name of [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone (CID 167321296) is [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone.
What is the SMILES notation for [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone?
The canonical SMILES for [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone is COC1(C(=O)c2c(F)ncn2[C@H](C)c2ccccc2)OCCO1.
What is the InChIKey of [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone?
The InChIKey is LWZLGJKQBFFUHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-11(12-6-4-3-5-7-12)19-10-18-15(17)13(19)14(20)16(21-2)22-8-9-23-16/h3-7,10-11H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone?
[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone has a molecular weight of 320.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-(2-methoxy-1,3-dioxolan-2-yl)methanone is sourced from PubChem (CID 167321296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).