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

C14H17F2N3O — CID 106569818

IUPAC1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-20-8-2-5-17-14-18-6-7-19(14)10-11-3-4-12(15)9-13(11)16/h3-4,6-7,9H,2,5,8,10H2,1H3,(H,17,18)
InChIKeyYFRBXVLSUQFASE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.66
Rot. Bonds7

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

1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106569818) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106569818
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-20-8-2-5-17-14-18-6-7-19(14)10-11-3-4-12(15)9-13(11)16/h3-4,6-7,9H,2,5,8,10H2,1H3,(H,17,18)
InChIKeyYFRBXVLSUQFASE-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
CID 106582260
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106569818) is 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is YFRBXVLSUQFASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-20-8-2-5-17-14-18-6-7-19(14)10-11-3-4-12(15)9-13(11)16/h3-4,6-7,9H,2,5,8,10H2,1H3,(H,17,18).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).