methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate

C26H39N5O4 — CID 67845751

IUPACmethyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2CCCN1CCOCC1
InChIInChI=1S/C26H39N5O4/c1-34-25(32)9-12-28-26(33)21-4-5-23-22(19-21)29-24(6-3-20-7-10-27-11-8-20)31(23)14-2-13-30-15-17-35-18-16-30/h4-5,19-20,27H,2-3,6-18H2,1H3,(H,28,33)
InChIKeyIBYVPGRIJYUONL-UHFFFAOYSA-N
MW485.63 g/mol
LogP1.98
Rot. Bonds11

About methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate

methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate (PubChem CID 67845751) has the molecular formula C26H39N5O4 and a molecular weight of 485.63 g/mol. Its IUPAC name is methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate
PubChem CID67845751
Molecular FormulaC26H39N5O4
Molecular Weight485.63 g/mol
Exact Mass485.30
IUPAC Namemethyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2CCCN1CCOCC1
InChIInChI=1S/C26H39N5O4/c1-34-25(32)9-12-28-26(33)21-4-5-23-22(19-21)29-24(6-3-20-7-10-27-11-8-20)31(23)14-2-13-30-15-17-35-18-16-30/h4-5,19-20,27H,2-3,6-18H2,1H3,(H,28,33)
InChIKeyIBYVPGRIJYUONL-UHFFFAOYSA-N
XLogP1.98
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[1-(4-phenylbutyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate
CID 67845765
methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate
CID 19921420
4-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]butanoic acid;dihydrobromide
CID 139646973
methyl 3-[[1-methyl-2-[methyl(piperidin-4-ylmethyl)amino]benzimidazole-5-carbonyl]amino]propanoate
CID 67845741
methyl 3-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-5-yl]sulfonylamino]propanoate
CID 67845831
2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
CID 42669779
3-[[6-methoxy-1-methyl-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid
CID 67845712
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
3-[[1-methyl-2-[[methyl(piperidin-4-yl)amino]methyl]benzimidazole-5-carbonyl]amino]propanoic acid
CID 67845789
methyl 3-[[2-[4-(aminomethyl)phenyl]-1-tetradecylbenzimidazole-5-carbonyl]amino]propanoate
CID 19921106
3-[[1-methyl-2-[[methyl(piperidin-4-yl)amino]methyl]benzimidazole-5-carbonyl]amino]propanoic acid;trihydrobromide
CID 67845788

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate (CID 67845751) is methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2CCCN1CCOCC1.
What is the InChIKey of methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate?
The InChIKey is IBYVPGRIJYUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4/c1-34-25(32)9-12-28-26(33)21-4-5-23-22(19-21)29-24(6-3-20-7-10-27-11-8-20)31(23)14-2-13-30-15-17-35-18-16-30/h4-5,19-20,27H,2-3,6-18H2,1H3,(H,28,33).
What are the key properties of methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate?
methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate has a molecular weight of 485.63 g/mol, XLogP of 1.98, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3-morpholin-4-ylpropyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 67845751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).