N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C15H19ClFN3O — CID 106570216

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN3O/c1-11-10-20(6-3-7-21-2)15(19-11)18-9-12-4-5-14(17)13(16)8-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyQEDUSVWADQWUGF-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.63
Rot. Bonds7

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106570216) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106570216
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN3O/c1-11-10-20(6-3-7-21-2)15(19-11)18-9-12-4-5-14(17)13(16)8-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyQEDUSVWADQWUGF-UHFFFAOYSA-N
XLogP3.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.63
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

5-(4-Chloro-phenyl)-1-methyl-1H-imidazol-2-ylamine
CID 656297
N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine
CID 10446240
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butan-1-amine
CID 11673377
5-(4-Chlorophenyl)-1-octylimidazol-2-amine
CID 50941027
N-(2-chloro-6-fluorobenzyl)-1-methyl-5-(4-methylphenyl)-1H-imidazol-2-amine
CID 3642847
5-(4-chlorophenyl)-1-ethyl-1H-imidazol-2-amine
CID 6917233
5-(4-Chlorophenyl)-1-pentylimidazol-2-amine
CID 50941024
5-(4-Chlorophenyl)-1-hexylimidazol-2-amine
CID 50941025
5-(4-Chlorophenyl)-1-heptylimidazol-2-amine
CID 50941026
5-(4-Chlorophenyl)-1-nonylimidazol-2-amine
CID 50941028
5-(4-Chlorophenyl)-1-decylimidazol-2-amine
CID 50941029
5-(4-Chlorophenyl)-1-undecylimidazol-2-amine
CID 50941030

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106570216) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is QEDUSVWADQWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-11-10-20(6-3-7-21-2)15(19-11)18-9-12-4-5-14(17)13(16)8-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 311.79 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106570216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).