4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine

C14H20N4O — CID 62507421

IUPAC4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine
SMILESCCCc1nc(-c2cccc(OCC)c2)c(N)n1N
InChIInChI=1S/C14H20N4O/c1-3-6-12-17-13(14(15)18(12)16)10-7-5-8-11(9-10)19-4-2/h5,7-9H,3-4,6,15-16H2,1-2H3
InChIKeyCASRTDVTPCWCFT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds5

About 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine

4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine (PubChem CID 62507421) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine
PubChem CID62507421
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine
SMILESCCCc1nc(-c2cccc(OCC)c2)c(N)n1N
InChIInChI=1S/C14H20N4O/c1-3-6-12-17-13(14(15)18(12)16)10-7-5-8-11(9-10)19-4-2/h5,7-9H,3-4,6,15-16H2,1-2H3
InChIKeyCASRTDVTPCWCFT-UHFFFAOYSA-N
XLogP2.20
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine?
The IUPAC name of 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine (CID 62507421) is 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine.
What is the SMILES notation for 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine?
The canonical SMILES for 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine is CCCc1nc(-c2cccc(OCC)c2)c(N)n1N.
What is the InChIKey of 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine?
The InChIKey is CASRTDVTPCWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-6-12-17-13(14(15)18(12)16)10-7-5-8-11(9-10)19-4-2/h5,7-9H,3-4,6,15-16H2,1-2H3.
What are the key properties of 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine?
4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine is sourced from PubChem (CID 62507421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).