(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone

C14H15FN2O2 — CID 82485496

IUPAC(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2nccn2C)cc1F
InChIInChI=1S/C14H15FN2O2/c1-9(2)19-12-5-4-10(8-11(12)15)13(18)14-16-6-7-17(14)3/h4-9H,1-3H3
InChIKeyWXVFGLUSQAGMQF-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.58
Rot. Bonds4

About (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone

(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 82485496) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID82485496
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2nccn2C)cc1F
InChIInChI=1S/C14H15FN2O2/c1-9(2)19-12-5-4-10(8-11(12)15)13(18)14-16-6-7-17(14)3/h4-9H,1-3H3
InChIKeyWXVFGLUSQAGMQF-UHFFFAOYSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[1-(1-methylimidazol-2-yl)ethoxy]benzoic acid
CID 117096768
[4-(4-fluoro-2-nitrophenoxy)-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133301498
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
CID 82287555
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 25406380
2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 24664550
2-bromo-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanone
CID 82489135
(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 54233902
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
CID 112731494
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone (CID 82485496) is (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone is CC(C)Oc1ccc(C(=O)c2nccn2C)cc1F.
What is the InChIKey of (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is WXVFGLUSQAGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(2)19-12-5-4-10(8-11(12)15)13(18)14-16-6-7-17(14)3/h4-9H,1-3H3.
What are the key properties of (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone?
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 262.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 82485496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).