(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol

C17H19N3O3 — CID 129041291

IUPAC(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol
SMILESCc1ccc(Oc2ccc3ncn(C[C@@](C)(O)CO)c3c2)nc1
InChIInChI=1S/C17H19N3O3/c1-12-3-6-16(18-8-12)23-13-4-5-14-15(7-13)20(11-19-14)9-17(2,22)10-21/h3-8,11,21-22H,9-10H2,1-2H3/t17-/m1/s1
InChIKeyQVVMRPNPLWPBGS-QGZVFWFLSA-N
MW313.36 g/mol
LogP2.28
Rot. Bonds5

About (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol

(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol (PubChem CID 129041291) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol
PubChem CID129041291
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol
SMILESCc1ccc(Oc2ccc3ncn(C[C@@](C)(O)CO)c3c2)nc1
InChIInChI=1S/C17H19N3O3/c1-12-3-6-16(18-8-12)23-13-4-5-14-15(7-13)20(11-19-14)9-17(2,22)10-21/h3-8,11,21-22H,9-10H2,1-2H3/t17-/m1/s1
InChIKeyQVVMRPNPLWPBGS-QGZVFWFLSA-N
XLogP2.28
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol (CID 129041291) is (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol is Cc1ccc(Oc2ccc3ncn(C[C@@](C)(O)CO)c3c2)nc1.
What is the InChIKey of (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol?
The InChIKey is QVVMRPNPLWPBGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-3-6-16(18-8-12)23-13-4-5-14-15(7-13)20(11-19-14)9-17(2,22)10-21/h3-8,11,21-22H,9-10H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol?
(2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol has a molecular weight of 313.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[6-[(5-methyl-2-pyridinyl)oxy]benzimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 129041291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).