1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol

C19H22N2O2 — CID 2876665

IUPAC1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCc1cc2ncn(CC(O)COCc3ccccc3)c2cc1C
InChIInChI=1S/C19H22N2O2/c1-14-8-18-19(9-15(14)2)21(13-20-18)10-17(22)12-23-11-16-6-4-3-5-7-16/h3-9,13,17,22H,10-12H2,1-2H3
InChIKeyULJYAQWIYUQUGR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.23
Rot. Bonds6

About 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol

1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 2876665) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID2876665
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCc1cc2ncn(CC(O)COCc3ccccc3)c2cc1C
InChIInChI=1S/C19H22N2O2/c1-14-8-18-19(9-15(14)2)21(13-20-18)10-17(22)12-23-11-16-6-4-3-5-7-16/h3-9,13,17,22H,10-12H2,1-2H3
InChIKeyULJYAQWIYUQUGR-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol (CID 2876665) is 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol is Cc1cc2ncn(CC(O)COCc3ccccc3)c2cc1C.
What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is ULJYAQWIYUQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-18-19(9-15(14)2)21(13-20-18)10-17(22)12-23-11-16-6-4-3-5-7-16/h3-9,13,17,22H,10-12H2,1-2H3.
What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylbenzimidazol-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 2876665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).