4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol

C16H23N3O — CID 18735190

IUPAC4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol
SMILESCCNCc1cncn1C(CCCO)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-17-11-15-12-18-13-19(15)16(9-6-10-20)14-7-4-3-5-8-14/h3-5,7-8,12-13,16-17,20H,2,6,9-11H2,1H3
InChIKeyDJSCVWRLIOGSIA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.35
Rot. Bonds8

About 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol

4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol (PubChem CID 18735190) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol
PubChem CID18735190
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol
SMILESCCNCc1cncn1C(CCCO)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-17-11-15-12-18-13-19(15)16(9-6-10-20)14-7-4-3-5-8-14/h3-5,7-8,12-13,16-17,20H,2,6,9-11H2,1H3
InChIKeyDJSCVWRLIOGSIA-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol?
The IUPAC name of 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol (CID 18735190) is 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol is CCNCc1cncn1C(CCCO)c1ccccc1.
What is the InChIKey of 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol?
The InChIKey is DJSCVWRLIOGSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-17-11-15-12-18-13-19(15)16(9-6-10-20)14-7-4-3-5-8-14/h3-5,7-8,12-13,16-17,20H,2,6,9-11H2,1H3.
What are the key properties of 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol?
4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol is sourced from PubChem (CID 18735190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).