5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine

C18H18ClN3O3 — CID 155552377

IUPAC5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
SMILESCOc1cc(-c2nc(N)[nH]c2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18ClN3O3/c1-23-13-8-11(9-14(24-2)17(13)25-3)16-15(21-18(20)22-16)10-4-6-12(19)7-5-10/h4-9H,1-3H3,(H3,20,21,22)
InChIKeyOWOGEJVWDDISPS-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.01
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine

5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine (PubChem CID 155552377) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
PubChem CID155552377
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
SMILESCOc1cc(-c2nc(N)[nH]c2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18ClN3O3/c1-23-13-8-11(9-14(24-2)17(13)25-3)16-15(21-18(20)22-16)10-4-6-12(19)7-5-10/h4-9H,1-3H3,(H3,20,21,22)
InChIKeyOWOGEJVWDDISPS-UHFFFAOYSA-N
XLogP4.01
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine (CID 155552377) is 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine is COc1cc(-c2nc(N)[nH]c2-c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine?
The InChIKey is OWOGEJVWDDISPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-23-13-8-11(9-14(24-2)17(13)25-3)16-15(21-18(20)22-16)10-4-6-12(19)7-5-10/h4-9H,1-3H3,(H3,20,21,22).
What are the key properties of 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine?
5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine has a molecular weight of 359.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 155552377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).