1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol

C25H26N2O3 — CID 43841729

IUPAC1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(O)COc2ccccc2C)cc1
InChIInChI=1S/C25H26N2O3/c1-18-7-3-6-10-24(18)30-17-20(28)16-27-23-9-5-4-8-22(23)26-25(27)15-19-11-13-21(29-2)14-12-19/h3-14,20,28H,15-17H2,1-2H3
InChIKeyLQUGJRUCZJFMAA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.38
Rot. Bonds8

About 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol

1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 43841729) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
PubChem CID43841729
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(O)COc2ccccc2C)cc1
InChIInChI=1S/C25H26N2O3/c1-18-7-3-6-10-24(18)30-17-20(28)16-27-23-9-5-4-8-22(23)26-25(27)15-19-11-13-21(29-2)14-12-19/h3-14,20,28H,15-17H2,1-2H3
InChIKeyLQUGJRUCZJFMAA-UHFFFAOYSA-N
XLogP4.38
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 156620728
1-(2-benzylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 156620668
1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
CID 42942526
1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620613
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227
(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 92727554

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol (CID 43841729) is 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol is COc1ccc(Cc2nc3ccccc3n2CC(O)COc2ccccc2C)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is LQUGJRUCZJFMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-7-3-6-10-24(18)30-17-20(28)16-27-23-9-5-4-8-22(23)26-25(27)15-19-11-13-21(29-2)14-12-19/h3-14,20,28H,15-17H2,1-2H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 402.49 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 43841729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).