2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride

C67H92Cl5N17O5S — CID 159045822

IUPAC2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCCl)CC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.ClCCl.N.O=S(Cl)Cl
InChIInChI=1S/C22H28ClN5O.C22H30N6O.C22H29N5O2.CH2Cl2.Cl2OS.H3N/c2*1-15-4-3-5-19-21(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;1-15-4-3-5-19-21(15)25-22(24-17-8-10-26(11-9-17)12-13-28)27(19)14-18-20(29)7-6-16(2)23-18;2-1-3;1-4(2)3;/h3-7,17,29H,8-14H2,1-2H3,(H,25,26);3-7,17,29H,8-14,23H2,1-2H3,(H,25,26);3-7,17,28-29H,8-14H2,1-2H3,(H,24,25);1H2;;1H3
InChIKeyVTQSFRLAEOUTSK-UHFFFAOYSA-N
MW1424.92 g/mol
LogP11.85
Rot. Bonds18

About 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride

2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride (PubChem CID 159045822) has the molecular formula C67H92Cl5N17O5S and a molecular weight of 1424.92 g/mol. Its IUPAC name is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride.

Molecular Properties

Compound Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride
PubChem CID159045822
Molecular FormulaC67H92Cl5N17O5S
Molecular Weight1424.92 g/mol
Exact Mass1421.56
IUPAC Name2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CCCl)CC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.ClCCl.N.O=S(Cl)Cl
InChIInChI=1S/C22H28ClN5O.C22H30N6O.C22H29N5O2.CH2Cl2.Cl2OS.H3N/c2*1-15-4-3-5-19-21(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;1-15-4-3-5-19-21(15)25-22(24-17-8-10-26(11-9-17)12-13-28)27(19)14-18-20(29)7-6-16(2)23-18;2-1-3;1-4(2)3;/h3-7,17,29H,8-14H2,1-2H3,(H,25,26);3-7,17,29H,8-14,23H2,1-2H3,(H,25,26);3-7,17,28-29H,8-14H2,1-2H3,(H,24,25);1H2;;1H3
InChIKeyVTQSFRLAEOUTSK-UHFFFAOYSA-N
XLogP11.85
TPSA296.95 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001424.92
LogP ≤ 511.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride with MolForge

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Related Compounds

6-Methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279701
2-[[2-[[1-(2-Hydroxyethyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279705
2-[[2-[[1-(2-Hydroxy-3,3-dimethyl-butyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279733
2-[[2-[[1-(2-Hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799091
2-[[2-[[1-[3-(Dimethylamino)-2-hydroxypropyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 17759010
6-Methyl-2-[[4-methyl-2-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 17759014
2-[[6-[[N-(2-hydroxyethyl)anilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24801706
2-[[2-[[1-(2-Hydroxy-3-methyl-butyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279718
3-[4-[[1-[(3-Hydroxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]-1-piperidyl]propane-1,2-diol
CID 5279703
2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279704
2-[[2-[[1-[2-(2,5-Dihydropyrrol-1-yl)ethyl]-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279709
2-[[2-[[1-[1-(Hydroxymethyl)propyl]-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 5279712

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride?
The IUPAC name of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride (CID 159045822) is 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride.
What is the SMILES notation for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride?
The canonical SMILES for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride is Cc1ccc(O)c(Cn2c(NC3CCN(CCCl)CC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCO)CC3)nc3c(C)cccc32)n1.ClCCl.N.O=S(Cl)Cl.
What is the InChIKey of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride?
The InChIKey is VTQSFRLAEOUTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O.C22H30N6O.C22H29N5O2.CH2Cl2.Cl2OS.H3N/c2*1-15-4-3-5-19-21(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;1-15-4-3-5-19-21(15)25-22(24-17-8-10-26(11-9-17)12-13-28)27(19)14-18-20(29)7-6-16(2)23-18;2-1-3;1-4(2)3;/h3-7,17,29H,8-14H2,1-2H3,(H,25,26);3-7,17,29H,8-14,23H2,1-2H3,(H,25,26);3-7,17,28-29H,8-14H2,1-2H3,(H,24,25);1H2;;1H3.
What are the key properties of 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride?
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride has a molecular weight of 1424.92 g/mol, XLogP of 11.85, 18 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;azane;2-[[2-[[1-(2-chloroethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;thionyl dichloride is sourced from PubChem (CID 159045822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).