2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol

C14H19N3O — CID 66133933

IUPAC2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)NCc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-17-11-15-9-14(17)13(10-18)16-8-12-6-4-3-5-7-12/h3-7,9,11,13,16,18H,2,8,10H2,1H3
InChIKeyXOWRSBBNRFKFIL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds6

About 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol

2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66133933) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol
PubChem CID66133933
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)NCc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-17-11-15-9-14(17)13(10-18)16-8-12-6-4-3-5-7-12/h3-7,9,11,13,16,18H,2,8,10H2,1H3
InChIKeyXOWRSBBNRFKFIL-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(benzylamino)-2-(3-ethylimidazol-4-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

Related Compounds

2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134961
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134135
(3R)-3-(3-ethylimidazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103696699
2-(2-methoxyanilino)-2-(3-propylimidazol-4-yl)ethanol
CID 66132442
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol (CID 66133933) is 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is XOWRSBBNRFKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-11-15-9-14(17)13(10-18)16-8-12-6-4-3-5-7-12/h3-7,9,11,13,16,18H,2,8,10H2,1H3.
What are the key properties of 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol?
2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66133933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).