N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine

C14H17N3O — CID 106555769

IUPACN-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
SMILESCCOc1ccc(-n2ccnc2NC2CC2)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-13-7-5-12(6-8-13)17-10-9-15-14(17)16-11-3-4-11/h5-11H,2-4H2,1H3,(H,15,16)
InChIKeyHISUIBCCWRTECK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.85
Rot. Bonds5

About N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine

N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine (PubChem CID 106555769) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
PubChem CID106555769
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
SMILESCCOc1ccc(-n2ccnc2NC2CC2)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-13-7-5-12(6-8-13)17-10-9-15-14(17)16-11-3-4-11/h5-11H,2-4H2,1H3,(H,15,16)
InChIKeyHISUIBCCWRTECK-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine (CID 106555769) is N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine is CCOc1ccc(-n2ccnc2NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine?
The InChIKey is HISUIBCCWRTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-13-7-5-12(6-8-13)17-10-9-15-14(17)16-11-3-4-11/h5-11H,2-4H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine?
N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106555769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).