2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol

C15H22N4O — CID 62743285

IUPAC2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2cnc(C)[nH]2)cc1
InChIInChI=1S/C15H22N4O/c1-3-19(8-9-20)15-6-4-13(5-7-15)17-11-14-10-16-12(2)18-14/h4-7,10,17,20H,3,8-9,11H2,1-2H3,(H,16,18)
InChIKeyQHVHLSOGXJNEOS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.15
Rot. Bonds7

About 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol

2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol (PubChem CID 62743285) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol
PubChem CID62743285
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol
SMILESCCN(CCO)c1ccc(NCc2cnc(C)[nH]2)cc1
InChIInChI=1S/C15H22N4O/c1-3-19(8-9-20)15-6-4-13(5-7-15)17-11-14-10-16-12(2)18-14/h4-7,10,17,20H,3,8-9,11H2,1-2H3,(H,16,18)
InChIKeyQHVHLSOGXJNEOS-UHFFFAOYSA-N
XLogP2.15
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
CID 60685335
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
CID 62743816
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
2-[N-ethyl-4-[(2-ethylpyrazol-3-yl)methylamino]anilino]ethanol
CID 114555558
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
CID 60932137
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
3-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propoxyaniline
CID 55114654

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol (CID 62743285) is 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol is CCN(CCO)c1ccc(NCc2cnc(C)[nH]2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol?
The InChIKey is QHVHLSOGXJNEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-19(8-9-20)15-6-4-13(5-7-15)17-11-14-10-16-12(2)18-14/h4-7,10,17,20H,3,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol?
2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol has a molecular weight of 274.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol is sourced from PubChem (CID 62743285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).