2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol

C20H26N6O — CID 511011

IUPAC2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESNCCN1CCC(Nc2nc3ccccc3n2Cc2ncccc2O)CC1
InChIInChI=1S/C20H26N6O/c21-9-13-25-11-7-15(8-12-25)23-20-24-16-4-1-2-5-18(16)26(20)14-17-19(27)6-3-10-22-17/h1-6,10,15,27H,7-9,11-14,21H2,(H,23,24)
InChIKeyXCJWTKZXFFFANG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.02
Rot. Bonds6

About 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol

2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 511011) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID511011
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESNCCN1CCC(Nc2nc3ccccc3n2Cc2ncccc2O)CC1
InChIInChI=1S/C20H26N6O/c21-9-13-25-11-7-15(8-12-25)23-20-24-16-4-1-2-5-18(16)26(20)14-17-19(27)6-3-10-22-17/h1-6,10,15,27H,7-9,11-14,21H2,(H,23,24)
InChIKeyXCJWTKZXFFFANG-UHFFFAOYSA-N
XLogP2.02
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 511011) is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is NCCN1CCC(Nc2nc3ccccc3n2Cc2ncccc2O)CC1.
What is the InChIKey of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is XCJWTKZXFFFANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c21-9-13-25-11-7-15(8-12-25)23-20-24-16-4-1-2-5-18(16)26(20)14-17-19(27)6-3-10-22-17/h1-6,10,15,27H,7-9,11-14,21H2,(H,23,24).
What are the key properties of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 366.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 511011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).