1-(3-phenylmethoxypropyl)imidazol-2-amine

C13H17N3O — CID 165466096

IUPAC1-(3-phenylmethoxypropyl)imidazol-2-amine
SMILESNc1nccn1CCCOCc1ccccc1
InChIInChI=1S/C13H17N3O/c14-13-15-7-9-16(13)8-4-10-17-11-12-5-2-1-3-6-12/h1-3,5-7,9H,4,8,10-11H2,(H2,14,15)
InChIKeyOBYMHWQFAXOZHL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.07
Rot. Bonds6

About 1-(3-phenylmethoxypropyl)imidazol-2-amine

1-(3-phenylmethoxypropyl)imidazol-2-amine (PubChem CID 165466096) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-phenylmethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-phenylmethoxypropyl)imidazol-2-amine
PubChem CID165466096
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(3-phenylmethoxypropyl)imidazol-2-amine
SMILESNc1nccn1CCCOCc1ccccc1
InChIInChI=1S/C13H17N3O/c14-13-15-7-9-16(13)8-4-10-17-11-12-5-2-1-3-6-12/h1-3,5-7,9H,4,8,10-11H2,(H2,14,15)
InChIKeyOBYMHWQFAXOZHL-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
CID 165473463
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
2-(4-phenylmethoxybutoxy)pyridine
CID 23045271
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
4-(2-aminoimidazol-1-yl)butanal
CID 55253480
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
tribromo(3-phenylmethoxypropyl)silane
CID 66954985

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(3-phenylmethoxypropyl)imidazol-2-amine (CID 165466096) is 1-(3-phenylmethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-phenylmethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(3-phenylmethoxypropyl)imidazol-2-amine is Nc1nccn1CCCOCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxypropyl)imidazol-2-amine?
The InChIKey is OBYMHWQFAXOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13-15-7-9-16(13)8-4-10-17-11-12-5-2-1-3-6-12/h1-3,5-7,9H,4,8,10-11H2,(H2,14,15).
What are the key properties of 1-(3-phenylmethoxypropyl)imidazol-2-amine?
1-(3-phenylmethoxypropyl)imidazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 165466096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).