[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol

C23H22N2O3 — CID 16995132

IUPAC[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
SMILESCOc1cccc(OCCn2c(C(O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C23H22N2O3/c1-27-18-10-7-11-19(16-18)28-15-14-25-21-13-6-5-12-20(21)24-23(25)22(26)17-8-3-2-4-9-17/h2-13,16,22,26H,14-15H2,1H3
InChIKeyUKVOQYNESLSNGH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.21
Rot. Bonds7

About [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol

[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol (PubChem CID 16995132) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
PubChem CID16995132
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
SMILESCOc1cccc(OCCn2c(C(O)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C23H22N2O3/c1-27-18-10-7-11-19(16-18)28-15-14-25-21-13-6-5-12-20(21)24-23(25)22(26)17-8-3-2-4-9-17/h2-13,16,22,26H,14-15H2,1H3
InChIKeyUKVOQYNESLSNGH-UHFFFAOYSA-N
XLogP4.21
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995172
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol (CID 16995132) is [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol is COc1cccc(OCCn2c(C(O)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol?
The InChIKey is UKVOQYNESLSNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-18-10-7-11-19(16-18)28-15-14-25-21-13-6-5-12-20(21)24-23(25)22(26)17-8-3-2-4-9-17/h2-13,16,22,26H,14-15H2,1H3.
What are the key properties of [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol?
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol has a molecular weight of 374.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 16995132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).