(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide

C19H22N6O2 — CID 95862882

IUPAC(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1cc(N2CCOCC2)ncn1)n1cnc2ccccc21
InChIInChI=1S/C19H22N6O2/c1-14(25-13-23-16-4-2-3-5-17(16)25)19(26)20-11-15-10-18(22-12-21-15)24-6-8-27-9-7-24/h2-5,10,12-14H,6-9,11H2,1H3,(H,20,26)/t14-/m1/s1
InChIKeyDWGOKOWKNLRUQT-CQSZACIVSA-N
MW366.43 g/mol
LogP1.54
Rot. Bonds5

About (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide

(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide (PubChem CID 95862882) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
PubChem CID95862882
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1cc(N2CCOCC2)ncn1)n1cnc2ccccc21
InChIInChI=1S/C19H22N6O2/c1-14(25-13-23-16-4-2-3-5-17(16)25)19(26)20-11-15-10-18(22-12-21-15)24-6-8-27-9-7-24/h2-5,10,12-14H,6-9,11H2,1H3,(H,20,26)/t14-/m1/s1
InChIKeyDWGOKOWKNLRUQT-CQSZACIVSA-N
XLogP1.54
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 129397081
2-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-5-propan-2-ylfuran-3-carboxamide
CID 70712162
2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
CID 90650920
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 71939914
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95894343
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
CID 51941434
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide (CID 95862882) is (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide is C[C@H](C(=O)NCc1cc(N2CCOCC2)ncn1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is DWGOKOWKNLRUQT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14(25-13-23-16-4-2-3-5-17(16)25)19(26)20-11-15-10-18(22-12-21-15)24-6-8-27-9-7-24/h2-5,10,12-14H,6-9,11H2,1H3,(H,20,26)/t14-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 366.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 95862882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).