2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol

C12H16N2O2 — CID 86721364

IUPAC2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol
SMILESCOCc1nc2c(C(C)(C)O)cccc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-12(2,15)8-5-4-6-9-11(8)14-10(13-9)7-16-3/h4-6,15H,7H2,1-3H3,(H,13,14)
InChIKeyVPOJDVAEMGUXIT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.94
Rot. Bonds3

About 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol

2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol (PubChem CID 86721364) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol
PubChem CID86721364
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol
SMILESCOCc1nc2c(C(C)(C)O)cccc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-12(2,15)8-5-4-6-9-11(8)14-10(13-9)7-16-3/h4-6,15H,7H2,1-3H3,(H,13,14)
InChIKeyVPOJDVAEMGUXIT-UHFFFAOYSA-N
XLogP1.94
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol (CID 86721364) is 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol is COCc1nc2c(C(C)(C)O)cccc2[nH]1.
What is the InChIKey of 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol?
The InChIKey is VPOJDVAEMGUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,15)8-5-4-6-9-11(8)14-10(13-9)7-16-3/h4-6,15H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol?
2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol is sourced from PubChem (CID 86721364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).