N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide

C21H23N5O3 — CID 46974295

IUPACN-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCn1cnc2ccc(NC(=O)c3cccc(NC(=O)CN4CCOCC4)c3)cc21
InChIInChI=1S/C21H23N5O3/c1-25-14-22-18-6-5-17(12-19(18)25)24-21(28)15-3-2-4-16(11-15)23-20(27)13-26-7-9-29-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyCKEZJBUOKIRORB-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.10
Rot. Bonds5

About N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide

N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide (PubChem CID 46974295) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
PubChem CID46974295
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCn1cnc2ccc(NC(=O)c3cccc(NC(=O)CN4CCOCC4)c3)cc21
InChIInChI=1S/C21H23N5O3/c1-25-14-22-18-6-5-17(12-19(18)25)24-21(28)15-3-2-4-16(11-15)23-20(27)13-26-7-9-29-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyCKEZJBUOKIRORB-UHFFFAOYSA-N
XLogP2.10
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172661523
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylacetamide
CID 110444182
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90784917
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The IUPAC name of N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide (CID 46974295) is N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The canonical SMILES for N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide is Cn1cnc2ccc(NC(=O)c3cccc(NC(=O)CN4CCOCC4)c3)cc21.
What is the InChIKey of N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The InChIKey is CKEZJBUOKIRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25-14-22-18-6-5-17(12-19(18)25)24-21(28)15-3-2-4-16(11-15)23-20(27)13-26-7-9-29-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide has a molecular weight of 393.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide is sourced from PubChem (CID 46974295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).