2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol

C16H24N4O2 — CID 5306702

IUPAC2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCOc1ccc2c(c1)nc(CN1CCN(CCO)CC1)n2C
InChIInChI=1S/C16H24N4O2/c1-18-15-4-3-13(22-2)11-14(15)17-16(18)12-20-7-5-19(6-8-20)9-10-21/h3-4,11,21H,5-10,12H2,1-2H3
InChIKeyVCMMVQKUGBSFGG-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.69
Rot. Bonds5

About 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 5306702) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID5306702
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCOc1ccc2c(c1)nc(CN1CCN(CCO)CC1)n2C
InChIInChI=1S/C16H24N4O2/c1-18-15-4-3-13(22-2)11-14(15)17-16(18)12-20-7-5-19(6-8-20)9-10-21/h3-4,11,21H,5-10,12H2,1-2H3
InChIKeyVCMMVQKUGBSFGG-UHFFFAOYSA-N
XLogP0.69
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol (CID 5306702) is 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol is COc1ccc2c(c1)nc(CN1CCN(CCO)CC1)n2C.
What is the InChIKey of 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is VCMMVQKUGBSFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18-15-4-3-13(22-2)11-14(15)17-16(18)12-20-7-5-19(6-8-20)9-10-21/h3-4,11,21H,5-10,12H2,1-2H3.
What are the key properties of 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 5306702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).