2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol

C15H23N3O — CID 82336490

IUPAC2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
SMILESCCN(CCO)C(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C15H23N3O/c1-4-18(9-10-19)14(11(2)3)15-16-12-7-5-6-8-13(12)17-15/h5-8,11,14,19H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyVYFSBISNEROTAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds6

About 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol

2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol (PubChem CID 82336490) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
PubChem CID82336490
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
SMILESCCN(CCO)C(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C15H23N3O/c1-4-18(9-10-19)14(11(2)3)15-16-12-7-5-6-8-13(12)17-15/h5-8,11,14,19H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyVYFSBISNEROTAY-UHFFFAOYSA-N
XLogP2.57
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
CID 54300780
2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
CID 60724199
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 78888249
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
CID 82336298
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol?
The IUPAC name of 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol (CID 82336490) is 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol is CCN(CCO)C(c1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol?
The InChIKey is VYFSBISNEROTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-18(9-10-19)14(11(2)3)15-16-12-7-5-6-8-13(12)17-15/h5-8,11,14,19H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol?
2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol is sourced from PubChem (CID 82336490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).