2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline

C26H33N5O2 — CID 141100285

IUPAC2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline
SMILESCCc1c(CN2CCOCC2)cccc1Nc1cc(N2CCOCC2)ccc1-c1ncc[nH]1
InChIInChI=1S/C26H33N5O2/c1-2-22-20(19-30-10-14-32-15-11-30)4-3-5-24(22)29-25-18-21(31-12-16-33-17-13-31)6-7-23(25)26-27-8-9-28-26/h3-9,18,29H,2,10-17,19H2,1H3,(H,27,28)
InChIKeyXHOFFJRKFCEQPB-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.05
Rot. Bonds7

About 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline

2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline (PubChem CID 141100285) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline
PubChem CID141100285
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline
SMILESCCc1c(CN2CCOCC2)cccc1Nc1cc(N2CCOCC2)ccc1-c1ncc[nH]1
InChIInChI=1S/C26H33N5O2/c1-2-22-20(19-30-10-14-32-15-11-30)4-3-5-24(22)29-25-18-21(31-12-16-33-17-13-31)6-7-23(25)26-27-8-9-28-26/h3-9,18,29H,2,10-17,19H2,1H3,(H,27,28)
InChIKeyXHOFFJRKFCEQPB-UHFFFAOYSA-N
XLogP4.05
TPSA65.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
CID 123186348
7-[2-ethyl-3-[(3-hydroxypiperidin-1-yl)methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 11249878
N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
CID 163917311
4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 136609321
4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
CID 56722426
N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide
CID 90921465
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline
CID 75520639
4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine
CID 67227304
7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 11353615
2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline
CID 155100435
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline (CID 141100285) is 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline is CCc1c(CN2CCOCC2)cccc1Nc1cc(N2CCOCC2)ccc1-c1ncc[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline?
The InChIKey is XHOFFJRKFCEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-2-22-20(19-30-10-14-32-15-11-30)4-3-5-24(22)29-25-18-21(31-12-16-33-17-13-31)6-7-23(25)26-27-8-9-28-26/h3-9,18,29H,2,10-17,19H2,1H3,(H,27,28).
What are the key properties of 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline?
2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline has a molecular weight of 447.58 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 141100285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).