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

C22H32N6O — CID 138514883

IUPAC2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2c3cccc(C)c3NC2NC2CCN(CCN)CC2)n1
InChIInChI=1S/C22H32N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,22,25-26,29H,8-14,23H2,1-2H3
InChIKeyQRZMLIVXMQMVLG-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.13
Rot. Bonds6

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

2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 138514883) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID138514883
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2c3cccc(C)c3NC2NC2CCN(CCN)CC2)n1
InChIInChI=1S/C22H32N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,22,25-26,29H,8-14,23H2,1-2H3
InChIKeyQRZMLIVXMQMVLG-UHFFFAOYSA-N
XLogP2.13
TPSA89.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.13
H-Bond Donors ≤ 54
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]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 138514883) is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2c3cccc(C)c3NC2NC2CCN(CCN)CC2)n1.
What is the InChIKey of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is QRZMLIVXMQMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,22,25-26,29H,8-14,23H2,1-2H3.
What are the key properties of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 396.54 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 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]-4-methyl-2,3-dihydrobenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 138514883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).