4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine

C24H28N6O2 — CID 15375600

IUPAC4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine
SMILESc1cc2nc(CCc3nc4ccc(N5CCOCC5)cc4[nH]3)[nH]c2cc1N1CCOCC1
InChIInChI=1S/C24H28N6O2/c1-3-19-21(15-17(1)29-7-11-31-12-8-29)27-23(25-19)5-6-24-26-20-4-2-18(16-22(20)28-24)30-9-13-32-14-10-30/h1-4,15-16H,5-14H2,(H,25,27)(H,26,28)
InChIKeyWMIYFWZVURGBNO-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.90
Rot. Bonds5

About 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine

4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine (PubChem CID 15375600) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine
PubChem CID15375600
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine
SMILESc1cc2nc(CCc3nc4ccc(N5CCOCC5)cc4[nH]3)[nH]c2cc1N1CCOCC1
InChIInChI=1S/C24H28N6O2/c1-3-19-21(15-17(1)29-7-11-31-12-8-29)27-23(25-19)5-6-24-26-20-4-2-18(16-22(20)28-24)30-9-13-32-14-10-30/h1-4,15-16H,5-14H2,(H,25,27)(H,26,28)
InChIKeyWMIYFWZVURGBNO-UHFFFAOYSA-N
XLogP2.90
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine (CID 15375600) is 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine is c1cc2nc(CCc3nc4ccc(N5CCOCC5)cc4[nH]3)[nH]c2cc1N1CCOCC1.
What is the InChIKey of 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine?
The InChIKey is WMIYFWZVURGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-19-21(15-17(1)29-7-11-31-12-8-29)27-23(25-19)5-6-24-26-20-4-2-18(16-22(20)28-24)30-9-13-32-14-10-30/h1-4,15-16H,5-14H2,(H,25,27)(H,26,28).
What are the key properties of 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine?
4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine has a molecular weight of 432.53 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 15375600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).