N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide

C23H27N5O4 — CID 162661314

IUPACN-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(N2CCOCC2)c2nc(NC(=O)c3cccc(N4CCOCC4)c3)[nH]c12
InChIInChI=1S/C23H27N5O4/c1-30-19-6-5-18(28-9-13-32-14-10-28)20-21(19)25-23(24-20)26-22(29)16-3-2-4-17(15-16)27-7-11-31-12-8-27/h2-6,15H,7-14H2,1H3,(H2,24,25,26,29)
InChIKeyCACIDNFBOFVBLU-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.50
Rot. Bonds5

About N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide

N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide (PubChem CID 162661314) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide
PubChem CID162661314
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(N2CCOCC2)c2nc(NC(=O)c3cccc(N4CCOCC4)c3)[nH]c12
InChIInChI=1S/C23H27N5O4/c1-30-19-6-5-18(28-9-13-32-14-10-28)20-21(19)25-23(24-20)26-22(29)16-3-2-4-17(15-16)27-7-11-31-12-8-27/h2-6,15H,7-14H2,1H3,(H2,24,25,26,29)
InChIKeyCACIDNFBOFVBLU-UHFFFAOYSA-N
XLogP2.50
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide?
The IUPAC name of N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide (CID 162661314) is N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide is COc1ccc(N2CCOCC2)c2nc(NC(=O)c3cccc(N4CCOCC4)c3)[nH]c12.
What is the InChIKey of N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide?
The InChIKey is CACIDNFBOFVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-30-19-6-5-18(28-9-13-32-14-10-28)20-21(19)25-23(24-20)26-22(29)16-3-2-4-17(15-16)27-7-11-31-12-8-27/h2-6,15H,7-14H2,1H3,(H2,24,25,26,29).
What are the key properties of N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide?
N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide has a molecular weight of 437.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 162661314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).