1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol

C22H27N3O2 — CID 3069764

IUPAC1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)(C)C)n1cnc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-16(25-15-23-19-10-6-7-11-20(19)25)18-9-5-8-12-21(18)27-14-17(26)13-24-22(2,3)4/h5-12,15,17,24,26H,1,13-14H2,2-4H3
InChIKeyHAAUBVPBGJLBEO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.68
Rot. Bonds7

About 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol

1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol (PubChem CID 3069764) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol
PubChem CID3069764
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)(C)C)n1cnc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-16(25-15-23-19-10-6-7-11-20(19)25)18-9-5-8-12-21(18)27-14-17(26)13-24-22(2,3)4/h5-12,15,17,24,26H,1,13-14H2,2-4H3
InChIKeyHAAUBVPBGJLBEO-UHFFFAOYSA-N
XLogP3.68
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
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N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
N-(2,3-Dimethoxybenzyl)-1,2-dimethyl-1H-benzimidazol-5-amine
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2-Methoxy-6-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
CID 715201
[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
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N-(4-ethoxybenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 1090103
1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
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2-Methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 790960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol (CID 3069764) is 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol is C=C(c1ccccc1OCC(O)CNC(C)(C)C)n1cnc2ccccc21.
What is the InChIKey of 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol?
The InChIKey is HAAUBVPBGJLBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(25-15-23-19-10-6-7-11-20(19)25)18-9-5-8-12-21(18)27-14-17(26)13-24-22(2,3)4/h5-12,15,17,24,26H,1,13-14H2,2-4H3.
What are the key properties of 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol?
1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol has a molecular weight of 365.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 3069764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).