[2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone

C17H14FN3O2 — CID 101469253

IUPAC[2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc(N)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3O2/c1-23-14-8-2-11(3-9-14)16(22)15-10-20-17(19)21(15)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,20)
InChIKeyJFUAYLGCAQZUBT-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.83
Rot. Bonds4

About [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone

[2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 101469253) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone
PubChem CID101469253
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name[2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc(N)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3O2/c1-23-14-8-2-11(3-9-14)16(22)15-10-20-17(19)21(15)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,20)
InChIKeyJFUAYLGCAQZUBT-UHFFFAOYSA-N
XLogP2.83
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1h-Imidazol-4-yl(4-methoxyphenyl)methanone
CID 760231
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
[5-Amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone
CID 900121
(7-Methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301029
(5-Ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301030
(6-Butyl-5-ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301148
(5-Butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301155
(4-Fluorophenyl)(2-(4-methoxyphenyl)-1H-imidazol-4-yl)methanone
CID 49787836
(4-fluorophenyl)-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]methanone
CID 49787989

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone (CID 101469253) is [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc(N)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is JFUAYLGCAQZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-14-8-2-11(3-9-14)16(22)15-10-20-17(19)21(15)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,20).
What are the key properties of [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone?
[2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 311.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(4-fluorophenyl)imidazol-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 101469253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).