2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol

C13H19N3O2 — CID 63032804

IUPAC2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
SMILESCn1c(CNCCOCCO)nc2ccccc21
InChIInChI=1S/C13H19N3O2/c1-16-12-5-3-2-4-11(12)15-13(16)10-14-6-8-18-9-7-17/h2-5,14,17H,6-10H2,1H3
InChIKeySWMBRBPAWQXPSK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.67
Rot. Bonds7

About 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol

2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol (PubChem CID 63032804) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
PubChem CID63032804
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
SMILESCn1c(CNCCOCCO)nc2ccccc21
InChIInChI=1S/C13H19N3O2/c1-16-12-5-3-2-4-11(12)15-13(16)10-14-6-8-18-9-7-17/h2-5,14,17H,6-10H2,1H3
InChIKeySWMBRBPAWQXPSK-UHFFFAOYSA-N
XLogP0.67
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-[(1-methylbenzimidazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647652
2-ethyl-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]butan-1-ol
CID 103845498
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
1-(2-ethoxyethyl)-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111894195
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol (CID 63032804) is 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol is Cn1c(CNCCOCCO)nc2ccccc21.
What is the InChIKey of 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is SWMBRBPAWQXPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-12-5-3-2-4-11(12)15-13(16)10-14-6-8-18-9-7-17/h2-5,14,17H,6-10H2,1H3.
What are the key properties of 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 249.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 63032804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).