[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

C20H27N5O2 — CID 77096390

IUPAC[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C20H27N5O2/c26-20(18-3-1-2-17(16-18)19-21-4-5-22-19)25-10-8-23(9-11-25)6-7-24-12-14-27-15-13-24/h1-5,16H,6-15H2,(H,21,22)
InChIKeyYNXKFWCYNQODNJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.17
Rot. Bonds5

About [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 77096390) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID77096390
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C20H27N5O2/c26-20(18-3-1-2-17(16-18)19-21-4-5-22-19)25-10-8-23(9-11-25)6-7-24-12-14-27-15-13-24/h1-5,16H,6-15H2,(H,21,22)
InChIKeyYNXKFWCYNQODNJ-UHFFFAOYSA-N
XLogP1.17
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
2-ethyl-8-[3-(1H-imidazol-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72928212
[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 125419699
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 56744876
(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95189352
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95555128

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (CID 77096390) is [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is O=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is YNXKFWCYNQODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(18-3-1-2-17(16-18)19-21-4-5-22-19)25-10-8-23(9-11-25)6-7-24-12-14-27-15-13-24/h1-5,16H,6-15H2,(H,21,22).
What are the key properties of [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 77096390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).