2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C20H26N4O2 — CID 5279689

IUPAC2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCCCCCCO)nc3ccccc32)n1
InChIInChI=1S/C20H26N4O2/c1-15-10-11-19(26)17(22-15)14-24-18-9-5-4-8-16(18)23-20(24)21-12-6-2-3-7-13-25/h4-5,8-11,25-26H,2-3,6-7,12-14H2,1H3,(H,21,23)
InChIKeyRQIIFYJKXWNXRV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.46
Rot. Bonds9

About 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279689) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID5279689
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NCCCCCCO)nc3ccccc32)n1
InChIInChI=1S/C20H26N4O2/c1-15-10-11-19(26)17(22-15)14-24-18-9-5-4-8-16(18)23-20(24)21-12-6-2-3-7-13-25/h4-5,8-11,25-26H,2-3,6-7,12-14H2,1H3,(H,21,23)
InChIKeyRQIIFYJKXWNXRV-UHFFFAOYSA-N
XLogP3.46
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[[2-(3-methylsulfanylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279692
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[6-[(3,5-dimethylanilino)methyl]-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24801029
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethylurea
CID 156649814
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
methyl 6-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]amino]hexanoate
CID 175084263
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate
CID 24799094
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70319389
2-[[6-[(2-butyl-5-methylanilino)methyl]-2-[3-(dipropylamino)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 122698007

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279689) is 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NCCCCCCO)nc3ccccc32)n1.
What is the InChIKey of 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is RQIIFYJKXWNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-10-11-19(26)17(22-15)14-24-18-9-5-4-8-16(18)23-20(24)21-12-6-2-3-7-13-25/h4-5,8-11,25-26H,2-3,6-7,12-14H2,1H3,(H,21,23).
What are the key properties of 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 354.45 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).