N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H18FN3O2 — CID 106576976

IUPACN-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1cc(OC)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-10-9-18(6-7-19-2)14(16-10)17-13-8-11(20-3)4-5-12(13)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyGCIRBHAGAFRLQP-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.73
Rot. Bonds6

About N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106576976) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106576976
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1cc(OC)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-10-9-18(6-7-19-2)14(16-10)17-13-8-11(20-3)4-5-12(13)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyGCIRBHAGAFRLQP-UHFFFAOYSA-N
XLogP2.73
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106576976) is N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1Nc1cc(OC)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is GCIRBHAGAFRLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10-9-18(6-7-19-2)14(16-10)17-13-8-11(20-3)4-5-12(13)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 279.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106576976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).