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

C17H21Cl2N3O2 — CID 15585625

IUPAC1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1cc(Cl)cc(Cl)c1OCC(O)CNC(C)C)n1ccnc1
InChIInChI=1S/C17H21Cl2N3O2/c1-11(2)21-8-14(23)9-24-17-15(6-13(18)7-16(17)19)12(3)22-5-4-20-10-22/h4-7,10-11,14,21,23H,3,8-9H2,1-2H3
InChIKeyDGLDECLHEGUKMK-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.45
Rot. Bonds8

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

1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15585625) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15585625
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1cc(Cl)cc(Cl)c1OCC(O)CNC(C)C)n1ccnc1
InChIInChI=1S/C17H21Cl2N3O2/c1-11(2)21-8-14(23)9-24-17-15(6-13(18)7-16(17)19)12(3)22-5-4-20-10-22/h4-7,10-11,14,21,23H,3,8-9H2,1-2H3
InChIKeyDGLDECLHEGUKMK-UHFFFAOYSA-N
XLogP3.45
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15585625) is 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is C=C(c1cc(Cl)cc(Cl)c1OCC(O)CNC(C)C)n1ccnc1.
What is the InChIKey of 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is DGLDECLHEGUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-11(2)21-8-14(23)9-24-17-15(6-13(18)7-16(17)19)12(3)22-5-4-20-10-22/h4-7,10-11,14,21,23H,3,8-9H2,1-2H3.
What are the key properties of 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 370.28 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15585625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).