3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide

C21H24N4O2 — CID 126446790

IUPAC3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
SMILESC[C@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C21H24N4O2/c1-15(13-25-7-9-27-10-8-25)24-21(26)18-4-2-3-16(11-18)17-5-6-19-20(12-17)23-14-22-19/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,22,23)(H,24,26)/t15-/m1/s1
InChIKeyQYEMBSRZWNDIBS-OAHLLOKOSA-N
MW364.45 g/mol
LogP2.68
Rot. Bonds5

About 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide

3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide (PubChem CID 126446790) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
PubChem CID126446790
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
SMILESC[C@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C21H24N4O2/c1-15(13-25-7-9-27-10-8-25)24-21(26)18-4-2-3-16(11-18)17-5-6-19-20(12-17)23-14-22-19/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,22,23)(H,24,26)/t15-/m1/s1
InChIKeyQYEMBSRZWNDIBS-OAHLLOKOSA-N
XLogP2.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 115607201
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 122555880
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
CID 156752452
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide (CID 126446790) is 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide is C[C@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
The InChIKey is QYEMBSRZWNDIBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(13-25-7-9-27-10-8-25)24-21(26)18-4-2-3-16(11-18)17-5-6-19-20(12-17)23-14-22-19/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,22,23)(H,24,26)/t15-/m1/s1.
What are the key properties of 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide is sourced from PubChem (CID 126446790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).