3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol

C23H31N5O3 — CID 5279703

IUPAC3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CC(O)CO)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C23H31N5O3/c1-15-4-3-5-20-22(15)26-23(28(20)13-19-21(31)7-6-16(2)24-19)25-17-8-10-27(11-9-17)12-18(30)14-29/h3-7,17-18,29-31H,8-14H2,1-2H3,(H,25,26)
InChIKeyTVNMGINONPTVNO-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.03
Rot. Bonds7

About 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol

3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol (PubChem CID 5279703) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol
PubChem CID5279703
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CC(O)CO)CC3)nc3c(C)cccc32)n1
InChIInChI=1S/C23H31N5O3/c1-15-4-3-5-20-22(15)26-23(28(20)13-19-21(31)7-6-16(2)24-19)25-17-8-10-27(11-9-17)12-18(30)14-29/h3-7,17-18,29-31H,8-14H2,1-2H3,(H,25,26)
InChIKeyTVNMGINONPTVNO-UHFFFAOYSA-N
XLogP2.03
TPSA106.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

Tmc-353121
CID 11249932
Jnj-2408068
CID 511013
2-[[2-[[1-(2-Aminoethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 511012
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 11168530
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2-[[6-[(3,5-Dimethylanilino)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799465
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24799467
4-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]butanamide
CID 24801203
2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
3-[[1-[(3-Hydroxy-6-methyl-2-pyridyl)methyl]-4,6-dimethyl-benzimidazol-2-yl]amino]propane-1,2-diol
CID 5279660
2-[2-(3-Hydroxypropylamino)-4,6-dimethyl-benzoimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol
CID 5279663
6-Methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279701

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol (CID 5279703) is 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol is Cc1ccc(O)c(Cn2c(NC3CCN(CC(O)CO)CC3)nc3c(C)cccc32)n1.
What is the InChIKey of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
The InChIKey is TVNMGINONPTVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-15-4-3-5-20-22(15)26-23(28(20)13-19-21(31)7-6-16(2)24-19)25-17-8-10-27(11-9-17)12-18(30)14-29/h3-7,17-18,29-31H,8-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol has a molecular weight of 425.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 5279703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).