5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine

C17H19N5O3 — CID 155557243

IUPAC5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(N)[nH]c2-c2ccc(N)nc2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O3/c1-23-11-6-10(7-12(24-2)16(11)25-3)15-14(21-17(19)22-15)9-4-5-13(18)20-8-9/h4-8H,1-3H3,(H2,18,20)(H3,19,21,22)
InChIKeySQWCDGKGASEGEW-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.33
Rot. Bonds5

About 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine

5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine (PubChem CID 155557243) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine
PubChem CID155557243
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(N)[nH]c2-c2ccc(N)nc2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O3/c1-23-11-6-10(7-12(24-2)16(11)25-3)15-14(21-17(19)22-15)9-4-5-13(18)20-8-9/h4-8H,1-3H3,(H2,18,20)(H3,19,21,22)
InChIKeySQWCDGKGASEGEW-UHFFFAOYSA-N
XLogP2.33
TPSA121.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine (CID 155557243) is 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine is COc1cc(-c2nc(N)[nH]c2-c2ccc(N)nc2)cc(OC)c1OC.
What is the InChIKey of 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine?
The InChIKey is SQWCDGKGASEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-23-11-6-10(7-12(24-2)16(11)25-3)15-14(21-17(19)22-15)9-4-5-13(18)20-8-9/h4-8H,1-3H3,(H2,18,20)(H3,19,21,22).
What are the key properties of 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine?
5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine has a molecular weight of 341.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 155557243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).