1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one

C18H28N4O2 — CID 129336669

IUPAC1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2)N1CCOCC1
InChIInChI=1S/C18H28N4O2/c23-17(22-10-12-24-13-11-22)7-9-21-8-3-6-16(21)18-19-14-4-1-2-5-15(14)20-18/h16H,1-13H2,(H,19,20)/t16-/m0/s1
InChIKeyKNMLQCTWNYSSNB-INIZCTEOSA-N
MW332.45 g/mol
LogP1.67
Rot. Bonds4

About 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one

1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 129336669) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID129336669
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2)N1CCOCC1
InChIInChI=1S/C18H28N4O2/c23-17(22-10-12-24-13-11-22)7-9-21-8-3-6-16(21)18-19-14-4-1-2-5-15(14)20-18/h16H,1-13H2,(H,19,20)/t16-/m0/s1
InChIKeyKNMLQCTWNYSSNB-INIZCTEOSA-N
XLogP1.67
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983427
3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95628126
1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
CID 154764432
2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983514
N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
CID 129339520
1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 128983493
2-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129351469
3-[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95300893
N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983479
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 129336669) is 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KNMLQCTWNYSSNB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(22-10-12-24-13-11-22)7-9-21-8-3-6-16(21)18-19-14-4-1-2-5-15(14)20-18/h16H,1-13H2,(H,19,20)/t16-/m0/s1.
What are the key properties of 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 332.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129336669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).