N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine

C23H27ClFN3O — CID 51362459

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine
SMILESCCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2CC(C)CC)cc1
InChIInChI=1S/C23H27ClFN3O/c1-4-16(3)15-28-22(17-9-11-18(12-10-17)29-5-2)14-27-23(28)26-13-19-20(24)7-6-8-21(19)25/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,26,27)
InChIKeyKMWKEWVYZSXGBS-UHFFFAOYSA-N
MW415.94 g/mol
LogP6.40
Rot. Bonds9

About N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine (PubChem CID 51362459) has the molecular formula C23H27ClFN3O and a molecular weight of 415.94 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine
PubChem CID51362459
Molecular FormulaC23H27ClFN3O
Molecular Weight415.94 g/mol
Exact Mass415.18
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine
SMILESCCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2CC(C)CC)cc1
InChIInChI=1S/C23H27ClFN3O/c1-4-16(3)15-28-22(17-9-11-18(12-10-17)29-5-2)14-27-23(28)26-13-19-20(24)7-6-8-21(19)25/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,26,27)
InChIKeyKMWKEWVYZSXGBS-UHFFFAOYSA-N
XLogP6.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-1-(2-methoxyethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 3339952
5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
CID 5028642
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine;oxalic acid
CID 163327080
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
CID 60702242
1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 3665509

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine (CID 51362459) is N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine is CCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2CC(C)CC)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine?
The InChIKey is KMWKEWVYZSXGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O/c1-4-16(3)15-28-22(17-9-11-18(12-10-17)29-5-2)14-27-23(28)26-13-19-20(24)7-6-8-21(19)25/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,26,27).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine has a molecular weight of 415.94 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine is sourced from PubChem (CID 51362459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).