propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

C14H14F2N2O2 — CID 63793944

IUPACpropan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2cc(F)ccc2F)nc1C(=O)OC(C)C
InChIInChI=1S/C14H14F2N2O2/c1-7(2)20-14(19)12-8(3)17-13(18-12)10-6-9(15)4-5-11(10)16/h4-7H,1-3H3,(H,17,18)
InChIKeyAAJJNSSCDTYILQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.23
Rot. Bonds3

About propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate

propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 63793944) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID63793944
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Namepropan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2cc(F)ccc2F)nc1C(=O)OC(C)C
InChIInChI=1S/C14H14F2N2O2/c1-7(2)20-14(19)12-8(3)17-13(18-12)10-6-9(15)4-5-11(10)16/h4-7H,1-3H3,(H,17,18)
InChIKeyAAJJNSSCDTYILQ-UHFFFAOYSA-N
XLogP3.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 63793944) is propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate is Cc1[nH]c(-c2cc(F)ccc2F)nc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is AAJJNSSCDTYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-7(2)20-14(19)12-8(3)17-13(18-12)10-6-9(15)4-5-11(10)16/h4-7H,1-3H3,(H,17,18).
What are the key properties of propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate?
propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 280.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,5-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 63793944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).