2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C21H28N6O — CID 511012

IUPAC2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1
InChIInChI=1S/C21H28N6O/c1-15-6-7-20(28)18(23-15)14-27-19-5-3-2-4-17(19)25-21(27)24-16-8-11-26(12-9-16)13-10-22/h2-7,16,28H,8-14,22H2,1H3,(H,24,25)
InChIKeyQISSQPBSNLZVBR-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.33
Rot. Bonds6

About 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 511012) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID511012
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1
InChIInChI=1S/C21H28N6O/c1-15-6-7-20(28)18(23-15)14-27-19-5-3-2-4-17(19)25-21(27)24-16-8-11-26(12-9-16)13-10-22/h2-7,16,28H,8-14,22H2,1H3,(H,24,25)
InChIKeyQISSQPBSNLZVBR-UHFFFAOYSA-N
XLogP2.33
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 511012) is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)n1.
What is the InChIKey of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is QISSQPBSNLZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15-6-7-20(28)18(23-15)14-27-19-5-3-2-4-17(19)25-21(27)24-16-8-11-26(12-9-16)13-10-22/h2-7,16,28H,8-14,22H2,1H3,(H,24,25).
What are the key properties of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 380.50 g/mol, XLogP of 2.33, 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]-6-methylpyridin-3-ol is sourced from PubChem (CID 511012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).