[5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine

C19H19ClFN3O — CID 24764514

IUPAC[5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine
SMILESCCOc1ccccc1Cn1cnc(-c2ccc(F)cc2Cl)c1CN
InChIInChI=1S/C19H19ClFN3O/c1-2-25-18-6-4-3-5-13(18)11-24-12-23-19(17(24)10-22)15-8-7-14(21)9-16(15)20/h3-9,12H,2,10-11,22H2,1H3
InChIKeyHKZSOSCIEICMGR-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.25
Rot. Bonds6

About [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine

[5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 24764514) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine
PubChem CID24764514
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC Name[5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine
SMILESCCOc1ccccc1Cn1cnc(-c2ccc(F)cc2Cl)c1CN
InChIInChI=1S/C19H19ClFN3O/c1-2-25-18-6-4-3-5-13(18)11-24-12-23-19(17(24)10-22)15-8-7-14(21)9-16(15)20/h3-9,12H,2,10-11,22H2,1H3
InChIKeyHKZSOSCIEICMGR-UHFFFAOYSA-N
XLogP4.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-6-[2-[[2-(4-chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752343
1-{2-Chloro-6-[3-(5-methyl-4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10027015
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
(5-(2,6-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11711314
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 54579007
3-[(2,6-dichlorophenyl)methyl]-8-(2-methoxyphenyl)-7H-purin-6-imine
CID 155229643
6-[2-[[2-(4-Chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752345
5-(4-Chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1H-imidazol-2-amine
CID 4025075
N-(3-chlorobenzyl)-5-(4-ethoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 5180823
(5-(2-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 52943488
5-butyl-4-(4-chlorophenyl)-1-(2-methoxyphenethyl)-1H-imidazole
CID 53300700
6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233945

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine (CID 24764514) is [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine is CCOc1ccccc1Cn1cnc(-c2ccc(F)cc2Cl)c1CN.
What is the InChIKey of [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is HKZSOSCIEICMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-2-25-18-6-4-3-5-13(18)11-24-12-23-19(17(24)10-22)15-8-7-14(21)9-16(15)20/h3-9,12H,2,10-11,22H2,1H3.
What are the key properties of [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine?
[5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 359.83 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-fluorophenyl)-3-[(2-ethoxyphenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 24764514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).