3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol

C19H24N4O3 — CID 5279660

IUPAC3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol
SMILESCc1cc(C)c2nc(NCC(O)CO)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C19H24N4O3/c1-11-6-12(2)18-16(7-11)23(19(22-18)20-8-14(25)10-24)9-15-17(26)5-4-13(3)21-15/h4-7,14,24-26H,8-10H2,1-3H3,(H,20,22)
InChIKeyAFCZGDIJYWCRGW-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.88
Rot. Bonds6

About 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol

3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol (PubChem CID 5279660) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol
PubChem CID5279660
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol
SMILESCc1cc(C)c2nc(NCC(O)CO)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C19H24N4O3/c1-11-6-12(2)18-16(7-11)23(19(22-18)20-8-14(25)10-24)9-15-17(26)5-4-13(3)21-15/h4-7,14,24-26H,8-10H2,1-3H3,(H,20,22)
InChIKeyAFCZGDIJYWCRGW-UHFFFAOYSA-N
XLogP1.88
TPSA103.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol (CID 5279660) is 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol is Cc1cc(C)c2nc(NCC(O)CO)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol?
The InChIKey is AFCZGDIJYWCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-6-12(2)18-16(7-11)23(19(22-18)20-8-14(25)10-24)9-15-17(26)5-4-13(3)21-15/h4-7,14,24-26H,8-10H2,1-3H3,(H,20,22).
What are the key properties of 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol?
3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol has a molecular weight of 356.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 5279660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).