1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C18H25N3O2 — CID 15917635

IUPAC1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1ccnc1C
InChIInChI=1S/C18H25N3O2/c1-13(2)20-11-16(22)12-23-18-8-6-5-7-17(18)14(3)21-10-9-19-15(21)4/h5-10,13,16,20,22H,3,11-12H2,1-2,4H3
InChIKeyCSYYTSAKDHLJGH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.45
Rot. Bonds8

About 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15917635) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15917635
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1ccnc1C
InChIInChI=1S/C18H25N3O2/c1-13(2)20-11-16(22)12-23-18-8-6-5-7-17(18)14(3)21-10-9-19-15(21)4/h5-10,13,16,20,22H,3,11-12H2,1-2,4H3
InChIKeyCSYYTSAKDHLJGH-UHFFFAOYSA-N
XLogP2.45
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15917635) is 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is C=C(c1ccccc1OCC(O)CNC(C)C)n1ccnc1C.
What is the InChIKey of 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CSYYTSAKDHLJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)20-11-16(22)12-23-18-8-6-5-7-17(18)14(3)21-10-9-19-15(21)4/h5-10,13,16,20,22H,3,11-12H2,1-2,4H3.
What are the key properties of 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15917635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).