1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol

C16H14N2O3 — CID 2859403

IUPAC1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol
SMILESCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-12-5-3-2-4-11(12)17-16(18)15(19)10-6-7-13-14(8-10)21-9-20-13/h2-8,15,19H,9H2,1H3
InChIKeyHFZHZIUCKFJNKR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.38
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol

1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol (PubChem CID 2859403) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol
PubChem CID2859403
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol
SMILESCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-12-5-3-2-4-11(12)17-16(18)15(19)10-6-7-13-14(8-10)21-9-20-13/h2-8,15,19H,9H2,1H3
InChIKeyHFZHZIUCKFJNKR-UHFFFAOYSA-N
XLogP2.38
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol (CID 2859403) is 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol is Cn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21.
What is the InChIKey of 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol?
The InChIKey is HFZHZIUCKFJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-12-5-3-2-4-11(12)17-16(18)15(19)10-6-7-13-14(8-10)21-9-20-13/h2-8,15,19H,9H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol?
1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol has a molecular weight of 282.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(1-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2859403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).