N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine

C24H28ClN3O — CID 130445800

IUPACN-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine
SMILESC=C(c1c(C)nc(Oc2cccc(C)c2)n1Cc1ccc(Cl)cc1)N(C)CCC
InChIInChI=1S/C24H28ClN3O/c1-6-14-27(5)19(4)23-18(3)26-24(29-22-9-7-8-17(2)15-22)28(23)16-20-10-12-21(25)13-11-20/h7-13,15H,4,6,14,16H2,1-3,5H3
InChIKeyNVOREYAOJUAGHB-UHFFFAOYSA-N
MW409.96 g/mol
LogP6.31
Rot. Bonds8

About N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine

N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine (PubChem CID 130445800) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine
PubChem CID130445800
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC NameN-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine
SMILESC=C(c1c(C)nc(Oc2cccc(C)c2)n1Cc1ccc(Cl)cc1)N(C)CCC
InChIInChI=1S/C24H28ClN3O/c1-6-14-27(5)19(4)23-18(3)26-24(29-22-9-7-8-17(2)15-22)28(23)16-20-10-12-21(25)13-11-20/h7-13,15H,4,6,14,16H2,1-3,5H3
InChIKeyNVOREYAOJUAGHB-UHFFFAOYSA-N
XLogP6.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-(3-methylphenoxy)imidazole-4-carboxamide
CID 129112811
N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
CID 130445796
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione
CID 4314327
3-[(4-chlorophenyl)methyl]-5-(ethylamino)-N-(3-hydroxypropyl)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
CID 129111876
8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-propyl-3H-purine-2,6-dione
CID 135269342
1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenoxy)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 135269387
7-[(4-chlorophenyl)methyl]-8-[3-[(dimethylamino)methyl]phenoxy]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 90405002
(1S,2R,3R,4R)-3,4-bis[[4-(3-methylphenoxy)phenyl]methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 67602166
2-(3-chlorophenoxy)-1-[(4-chlorophenyl)methyl]-7-methyl-6-(3-methylbutyl)benzimidazole
CID 137474551
3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide
CID 148878189
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine?
The IUPAC name of N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine (CID 130445800) is N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine is C=C(c1c(C)nc(Oc2cccc(C)c2)n1Cc1ccc(Cl)cc1)N(C)CCC.
What is the InChIKey of N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine?
The InChIKey is NVOREYAOJUAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-6-14-27(5)19(4)23-18(3)26-24(29-22-9-7-8-17(2)15-22)28(23)16-20-10-12-21(25)13-11-20/h7-13,15H,4,6,14,16H2,1-3,5H3.
What are the key properties of N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine?
N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine has a molecular weight of 409.96 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-chlorophenyl)methyl]-5-methyl-2-(3-methylphenoxy)imidazol-4-yl]ethenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 130445800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).