2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C19H24N4O2 — CID 5279663

IUPAC2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NCCCO)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C19H24N4O2/c1-12-9-13(2)18-16(10-12)23(19(22-18)20-7-4-8-24)11-15-17(25)6-5-14(3)21-15/h5-6,9-10,24-25H,4,7-8,11H2,1-3H3,(H,20,22)
InChIKeyFBVLIQANTZMREL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds6

About 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279663) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID5279663
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NCCCO)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C19H24N4O2/c1-12-9-13(2)18-16(10-12)23(19(22-18)20-7-4-8-24)11-15-17(25)6-5-14(3)21-15/h5-6,9-10,24-25H,4,7-8,11H2,1-3H3,(H,20,22)
InChIKeyFBVLIQANTZMREL-UHFFFAOYSA-N
XLogP2.90
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279663) is 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2nc(NCCCO)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is FBVLIQANTZMREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-9-13(2)18-16(10-12)23(19(22-18)20-7-4-8-24)11-15-17(25)6-5-14(3)21-15/h5-6,9-10,24-25H,4,7-8,11H2,1-3H3,(H,20,22).
What are the key properties of 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 340.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).