1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

C19H21N5O2 — CID 125019995

IUPAC1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1
InChIInChI=1S/C19H21N5O2/c1-13-21-14-5-2-3-7-16(14)24(13)12-19(25)23-9-10-26-17(11-23)15-6-4-8-18(20)22-15/h2-8,17H,9-12H2,1H3,(H2,20,22)/t17-/m0/s1
InChIKeyXZXXXTWGKQTPNW-KRWDZBQOSA-N
MW351.41 g/mol
LogP1.92
Rot. Bonds3

About 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (PubChem CID 125019995) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
PubChem CID125019995
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1
InChIInChI=1S/C19H21N5O2/c1-13-21-14-5-2-3-7-16(14)24(13)12-19(25)23-9-10-26-17(11-23)15-6-4-8-18(20)22-15/h2-8,17H,9-12H2,1H3,(H2,20,22)/t17-/m0/s1
InChIKeyXZXXXTWGKQTPNW-KRWDZBQOSA-N
XLogP1.92
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone with MolForge

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129325955
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110112351
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-cyclohexylethanone
CID 124970514
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 124943141
2-(2-methylbenzimidazol-1-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128988223
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
6-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124959514
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 155900852
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119540436
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 110259340

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (CID 125019995) is 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1.
What is the InChIKey of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The InChIKey is XZXXXTWGKQTPNW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-21-14-5-2-3-7-16(14)24(13)12-19(25)23-9-10-26-17(11-23)15-6-4-8-18(20)22-15/h2-8,17H,9-12H2,1H3,(H2,20,22)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone has a molecular weight of 351.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 125019995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).