(2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol

C17H18N2O3 — CID 622468

IUPAC(2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2nc3ccccc3n2C)c1
InChIInChI=1S/C17H18N2O3/c1-19-14-7-5-4-6-13(14)18-17(19)16(20)12-10-11(21-2)8-9-15(12)22-3/h4-10,16,20H,1-3H3
InChIKeyXKPSESNPHNTGRK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.67
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol

(2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol (PubChem CID 622468) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
PubChem CID622468
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2nc3ccccc3n2C)c1
InChIInChI=1S/C17H18N2O3/c1-19-14-7-5-4-6-13(14)18-17(19)16(20)12-10-11(21-2)8-9-15(12)22-3/h4-10,16,20H,1-3H3
InChIKeyXKPSESNPHNTGRK-UHFFFAOYSA-N
XLogP2.67
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol (CID 622468) is (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol is COc1ccc(OC)c(C(O)c2nc3ccccc3n2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The InChIKey is XKPSESNPHNTGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-14-7-5-4-6-13(14)18-17(19)16(20)12-10-11(21-2)8-9-15(12)22-3/h4-10,16,20H,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
(2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol has a molecular weight of 298.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 622468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).