1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol

C22H27N3O3 — CID 15585632

IUPAC1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1cccc(OC)c1OCC(O)CNC(C)C)n1cnc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-15(2)23-12-17(26)13-28-22-18(8-7-11-21(22)27-4)16(3)25-14-24-19-9-5-6-10-20(19)25/h5-11,14-15,17,23,26H,3,12-13H2,1-2,4H3
InChIKeyLWQUXBBBSYMOPD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds9

About 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15585632) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15585632
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1cccc(OC)c1OCC(O)CNC(C)C)n1cnc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-15(2)23-12-17(26)13-28-22-18(8-7-11-21(22)27-4)16(3)25-14-24-19-9-5-6-10-20(19)25/h5-11,14-15,17,23,26H,3,12-13H2,1-2,4H3
InChIKeyLWQUXBBBSYMOPD-UHFFFAOYSA-N
XLogP3.30
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15917634
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 138959128
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15585632) is 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol is C=C(c1cccc(OC)c1OCC(O)CNC(C)C)n1cnc2ccccc21.
What is the InChIKey of 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is LWQUXBBBSYMOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)23-12-17(26)13-28-22-18(8-7-11-21(22)27-4)16(3)25-14-24-19-9-5-6-10-20(19)25/h5-11,14-15,17,23,26H,3,12-13H2,1-2,4H3.
What are the key properties of 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 381.48 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15585632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).