2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol

C15H24N4O — CID 799618

IUPAC2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
SMILES[H]/N=c1\n(CCO)c2ccccc2n1CCN(CC)CC
InChIInChI=1S/C15H24N4O/c1-3-17(4-2)9-10-18-13-7-5-6-8-14(13)19(11-12-20)15(18)16/h5-8,16,20H,3-4,9-12H2,1-2H3/b16-15-
InChIKeyMZQWKMKJXAYBAS-NXVVXOECSA-N
MW276.38 g/mol
LogP1.26
Rot. Bonds7

About 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol

2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol (PubChem CID 799618) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
PubChem CID799618
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
SMILES[H]/N=c1\n(CCO)c2ccccc2n1CCN(CC)CC
InChIInChI=1S/C15H24N4O/c1-3-17(4-2)9-10-18-13-7-5-6-8-14(13)19(11-12-20)15(18)16/h5-8,16,20H,3-4,9-12H2,1-2H3/b16-15-
InChIKeyMZQWKMKJXAYBAS-NXVVXOECSA-N
XLogP1.26
TPSA57.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol (CID 799618) is 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol is [H]/N=c1\n(CCO)c2ccccc2n1CCN(CC)CC.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol?
The InChIKey is MZQWKMKJXAYBAS-NXVVXOECSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-17(4-2)9-10-18-13-7-5-6-8-14(13)19(11-12-20)15(18)16/h5-8,16,20H,3-4,9-12H2,1-2H3/b16-15-.
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol?
2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol has a molecular weight of 276.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol is sourced from PubChem (CID 799618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).