1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol

C19H27N3O2 — CID 15585631

IUPAC1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1cc(C)cc(C)c1OCC(O)CNC(C)C)n1ccnc1
InChIInChI=1S/C19H27N3O2/c1-13(2)21-10-17(23)11-24-19-15(4)8-14(3)9-18(19)16(5)22-7-6-20-12-22/h6-9,12-13,17,21,23H,5,10-11H2,1-4H3
InChIKeyMQFHXEQEGSZSEX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.76
Rot. Bonds8

About 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15585631) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15585631
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1cc(C)cc(C)c1OCC(O)CNC(C)C)n1ccnc1
InChIInChI=1S/C19H27N3O2/c1-13(2)21-10-17(23)11-24-19-15(4)8-14(3)9-18(19)16(5)22-7-6-20-12-22/h6-9,12-13,17,21,23H,5,10-11H2,1-4H3
InChIKeyMQFHXEQEGSZSEX-UHFFFAOYSA-N
XLogP2.76
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15585631) is 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol is C=C(c1cc(C)cc(C)c1OCC(O)CNC(C)C)n1ccnc1.
What is the InChIKey of 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MQFHXEQEGSZSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)21-10-17(23)11-24-19-15(4)8-14(3)9-18(19)16(5)22-7-6-20-12-22/h6-9,12-13,17,21,23H,5,10-11H2,1-4H3.
What are the key properties of 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15585631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).