N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine

C14H17F2N3O — CID 106569801

IUPACN-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NCc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-20-8-2-6-19-7-5-17-14(19)18-10-11-3-4-12(15)9-13(11)16/h3-5,7,9H,2,6,8,10H2,1H3,(H,17,18)
InChIKeyBFEKQPXOYHIARQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.81
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine

N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106569801) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106569801
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NCc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-20-8-2-6-19-7-5-17-14(19)18-10-11-3-4-12(15)9-13(11)16/h3-5,7,9H,2,6,8,10H2,1H3,(H,17,18)
InChIKeyBFEKQPXOYHIARQ-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine (CID 106569801) is N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is BFEKQPXOYHIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-20-8-2-6-19-7-5-17-14(19)18-10-11-3-4-12(15)9-13(11)16/h3-5,7,9H,2,6,8,10H2,1H3,(H,17,18).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine?
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106569801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).