[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol

C16H24N4O — CID 143063195

IUPAC[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol
SMILESCCn1c(NC2CCN(C)CC2)nc2ccc(CO)cc21
InChIInChI=1S/C16H24N4O/c1-3-20-15-10-12(11-21)4-5-14(15)18-16(20)17-13-6-8-19(2)9-7-13/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,17,18)
InChIKeyLDFXYUTYZYOHBE-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.05
Rot. Bonds4

About [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol

[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol (PubChem CID 143063195) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol
PubChem CID143063195
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol
SMILESCCn1c(NC2CCN(C)CC2)nc2ccc(CO)cc21
InChIInChI=1S/C16H24N4O/c1-3-20-15-10-12(11-21)4-5-14(15)18-16(20)17-13-6-8-19(2)9-7-13/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,17,18)
InChIKeyLDFXYUTYZYOHBE-UHFFFAOYSA-N
XLogP2.05
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
CID 143063201
1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)
CID 58665101
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
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
but-2-enedioic acid;2-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methoxy]ethanol
CID 159801214
6-methyl-2-[[2-[(1-methylpiperidin-4-yl)amino]-6-nitrobenzimidazol-1-yl]methyl]pyridin-3-ol
CID 24800321
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
CID 159423862
ethyl 2-[4-[[6-(2-aminoethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate
CID 70336287
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
CID 143063274

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol?
The IUPAC name of [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol (CID 143063195) is [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol.
What is the SMILES notation for [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol?
The canonical SMILES for [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol is CCn1c(NC2CCN(C)CC2)nc2ccc(CO)cc21.
What is the InChIKey of [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol?
The InChIKey is LDFXYUTYZYOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20-15-10-12(11-21)4-5-14(15)18-16(20)17-13-6-8-19(2)9-7-13/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,17,18).
What are the key properties of [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol?
[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol has a molecular weight of 288.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol is sourced from PubChem (CID 143063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).