2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine

C14H18N4O — CID 62482562

IUPAC2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine
SMILESCCOc1ccccc1-c1nc(C2CC2)n(N)c1N
InChIInChI=1S/C14H18N4O/c1-2-19-11-6-4-3-5-10(11)12-13(15)18(16)14(17-12)9-7-8-9/h3-6,9H,2,7-8,15-16H2,1H3
InChIKeyGITXSVRMIVYQKE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.12
Rot. Bonds4

About 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine

2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine (PubChem CID 62482562) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine
PubChem CID62482562
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine
SMILESCCOc1ccccc1-c1nc(C2CC2)n(N)c1N
InChIInChI=1S/C14H18N4O/c1-2-19-11-6-4-3-5-10(11)12-13(15)18(16)14(17-12)9-7-8-9/h3-6,9H,2,7-8,15-16H2,1H3
InChIKeyGITXSVRMIVYQKE-UHFFFAOYSA-N
XLogP2.12
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine?
The IUPAC name of 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine (CID 62482562) is 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine is CCOc1ccccc1-c1nc(C2CC2)n(N)c1N.
What is the InChIKey of 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine?
The InChIKey is GITXSVRMIVYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-19-11-6-4-3-5-10(11)12-13(15)18(16)14(17-12)9-7-8-9/h3-6,9H,2,7-8,15-16H2,1H3.
What are the key properties of 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine?
2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-ethoxyphenyl)imidazole-1,5-diamine is sourced from PubChem (CID 62482562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).