2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C16H19N5O — CID 70333466

IUPAC2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(N)nc3ccc(CCN)cc32)n1
InChIInChI=1S/C16H19N5O/c1-10-2-5-15(22)13(19-10)9-21-14-8-11(6-7-17)3-4-12(14)20-16(21)18/h2-5,8,22H,6-7,9,17H2,1H3,(H2,18,20)
InChIKeyHCJYWOKWGUSONA-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.58
Rot. Bonds4

About 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 70333466) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID70333466
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(N)nc3ccc(CCN)cc32)n1
InChIInChI=1S/C16H19N5O/c1-10-2-5-15(22)13(19-10)9-21-14-8-11(6-7-17)3-4-12(14)20-16(21)18/h2-5,8,22H,6-7,9,17H2,1H3,(H2,18,20)
InChIKeyHCJYWOKWGUSONA-UHFFFAOYSA-N
XLogP1.58
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 70333466) is 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(N)nc3ccc(CCN)cc32)n1.
What is the InChIKey of 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is HCJYWOKWGUSONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-2-5-15(22)13(19-10)9-21-14-8-11(6-7-17)3-4-12(14)20-16(21)18/h2-5,8,22H,6-7,9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 297.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(2-aminoethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 70333466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).