1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol

C25H26N2O4 — CID 156620662

IUPAC1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OC)c1OCC(O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C25H26N2O4/c1-29-22-13-8-14-23(30-2)25(22)31-17-19(28)16-27-21-12-7-6-11-20(21)26-24(27)15-18-9-4-3-5-10-18/h3-14,19,28H,15-17H2,1-2H3
InChIKeyDLZJDIPTUFHSMA-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.08
Rot. Bonds9

About 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol

1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol (PubChem CID 156620662) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
PubChem CID156620662
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OC)c1OCC(O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C25H26N2O4/c1-29-22-13-8-14-23(30-2)25(22)31-17-19(28)16-27-21-12-7-6-11-20(21)26-24(27)15-18-9-4-3-5-10-18/h3-14,19,28H,15-17H2,1-2H3
InChIKeyDLZJDIPTUFHSMA-UHFFFAOYSA-N
XLogP4.08
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620613
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 156620660
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2-chloro-5-methylphenoxy)propan-2-ol
CID 26741924
1-(2-benzylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 156620668
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 1186414
1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol (CID 156620662) is 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol is COc1cccc(OC)c1OCC(O)Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol?
The InChIKey is DLZJDIPTUFHSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-29-22-13-8-14-23(30-2)25(22)31-17-19(28)16-27-21-12-7-6-11-20(21)26-24(27)15-18-9-4-3-5-10-18/h3-14,19,28H,15-17H2,1-2H3.
What are the key properties of 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol?
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol has a molecular weight of 418.49 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 156620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).