4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline

C14H19N3O — CID 65175561

IUPAC4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
SMILESCCOCCCn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C14H19N3O/c1-2-18-11-3-9-17-10-8-16-14(17)12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11,15H2,1H3
InChIKeyYUHOSMHWCFWWDX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds6

About 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline

4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline (PubChem CID 65175561) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
PubChem CID65175561
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
SMILESCCOCCCn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C14H19N3O/c1-2-18-11-3-9-17-10-8-16-14(17)12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11,15H2,1H3
InChIKeyYUHOSMHWCFWWDX-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline?
The IUPAC name of 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline (CID 65175561) is 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline.
What is the SMILES notation for 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline?
The canonical SMILES for 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline is CCOCCCn1ccnc1-c1ccc(N)cc1.
What is the InChIKey of 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline?
The InChIKey is YUHOSMHWCFWWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-18-11-3-9-17-10-8-16-14(17)12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11,15H2,1H3.
What are the key properties of 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline?
4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline is sourced from PubChem (CID 65175561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).