1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C19H26ClN3O2 — CID 15585633

IUPAC1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)=C(c1cc(Cl)ccc1OCC(O)CNC(C)C)n1ccnc1
InChIInChI=1S/C19H26ClN3O2/c1-13(2)19(23-8-7-21-12-23)17-9-15(20)5-6-18(17)25-11-16(24)10-22-14(3)4/h5-9,12,14,16,22,24H,10-11H2,1-4H3
InChIKeyCUKJUMZIHFFAJF-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.57
Rot. Bonds8

About 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15585633) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15585633
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)=C(c1cc(Cl)ccc1OCC(O)CNC(C)C)n1ccnc1
InChIInChI=1S/C19H26ClN3O2/c1-13(2)19(23-8-7-21-12-23)17-9-15(20)5-6-18(17)25-11-16(24)10-22-14(3)4/h5-9,12,14,16,22,24H,10-11H2,1-4H3
InChIKeyCUKJUMZIHFFAJF-UHFFFAOYSA-N
XLogP3.57
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15585633) is 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)=C(c1cc(Cl)ccc1OCC(O)CNC(C)C)n1ccnc1.
What is the InChIKey of 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CUKJUMZIHFFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-13(2)19(23-8-7-21-12-23)17-9-15(20)5-6-18(17)25-11-16(24)10-22-14(3)4/h5-9,12,14,16,22,24H,10-11H2,1-4H3.
What are the key properties of 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 363.89 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15585633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).