N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C14H17ClFN3O — CID 106560747

IUPACN-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cccc(Cl)c1F
InChIInChI=1S/C14H17ClFN3O/c1-9-7-19(10(2)8-20-3)14(17-9)18-12-6-4-5-11(15)13(12)16/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyRZFGLZGEUVVMQK-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.94
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106560747) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106560747
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cccc(Cl)c1F
InChIInChI=1S/C14H17ClFN3O/c1-9-7-19(10(2)8-20-3)14(17-9)18-12-6-4-5-11(15)13(12)16/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyRZFGLZGEUVVMQK-UHFFFAOYSA-N
XLogP3.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106560747) is N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is RZFGLZGEUVVMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-9-7-19(10(2)8-20-3)14(17-9)18-12-6-4-5-11(15)13(12)16/h4-7,10H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 297.76 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106560747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).