5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine

C22H26ClN3O4 — CID 3884020

IUPAC5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine
SMILESCOCCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C22H26ClN3O4/c1-27-12-11-26-18(15-5-8-17(23)9-6-15)14-25-22(26)24-13-16-7-10-19(28-2)21(30-4)20(16)29-3/h5-10,14H,11-13H2,1-4H3,(H,24,25)
InChIKeyQANAVMCBJGKWRW-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.49
Rot. Bonds10

About 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine

5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine (PubChem CID 3884020) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine
PubChem CID3884020
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine
SMILESCOCCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C22H26ClN3O4/c1-27-12-11-26-18(15-5-8-17(23)9-6-15)14-25-22(26)24-13-16-7-10-19(28-2)21(30-4)20(16)29-3/h5-10,14H,11-13H2,1-4H3,(H,24,25)
InChIKeyQANAVMCBJGKWRW-UHFFFAOYSA-N
XLogP4.49
TPSA66.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4691572
5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine
CID 3604616
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
5-(4-ethoxyphenyl)-1-(2-methoxyethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 3339952
5-(4-fluorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4539990
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 3356531

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine (CID 3884020) is 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine is COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine?
The InChIKey is QANAVMCBJGKWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-27-12-11-26-18(15-5-8-17(23)9-6-15)14-25-22(26)24-13-16-7-10-19(28-2)21(30-4)20(16)29-3/h5-10,14H,11-13H2,1-4H3,(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine?
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine has a molecular weight of 431.92 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 3884020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).