N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine

C13H14ClF2N3O — CID 106578712

IUPACN-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C13H14ClF2N3O/c1-20-6-2-4-19-5-3-17-13(19)18-12-10(14)7-9(15)8-11(12)16/h3,5,7-8H,2,4,6H2,1H3,(H,17,18)
InChIKeyGNUMEJVZPZBMNL-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.59
Rot. Bonds6

About N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106578712) has the molecular formula C13H14ClF2N3O and a molecular weight of 301.72 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106578712
Molecular FormulaC13H14ClF2N3O
Molecular Weight301.72 g/mol
Exact Mass301.08
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C13H14ClF2N3O/c1-20-6-2-4-19-5-3-17-13(19)18-12-10(14)7-9(15)8-11(12)16/h3,5,7-8H,2,4,6H2,1H3,(H,17,18)
InChIKeyGNUMEJVZPZBMNL-UHFFFAOYSA-N
XLogP3.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 53.59
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-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578727
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-chloro-4,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578706
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
1-(3-ethoxypropyl)-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570947

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106578712) is N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is GNUMEJVZPZBMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O/c1-20-6-2-4-19-5-3-17-13(19)18-12-10(14)7-9(15)8-11(12)16/h3,5,7-8H,2,4,6H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 301.72 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106578712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).