2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine

C32H30N10O3 — CID 174475333

IUPAC2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine
SMILESc1c[nH]c(C2(c3ccc4nc(-c5ccc(-c6nc7ccc(C8(c9ncc[nH]9)CNCCO8)cc7[nH]6)o5)[nH]c4c3)CNCCO2)n1
InChIInChI=1S/C32H30N10O3/c1-3-21-23(15-19(1)31(17-33-11-13-43-31)29-35-7-8-36-29)41-27(39-21)25-5-6-26(45-25)28-40-22-4-2-20(16-24(22)42-28)32(18-34-12-14-44-32)30-37-9-10-38-30/h1-10,15-16,33-34H,11-14,17-18H2,(H,35,36)(H,37,38)(H,39,41)(H,40,42)
InChIKeyWGMZQCJAASINST-UHFFFAOYSA-N
MW602.66 g/mol
LogP3.54
Rot. Bonds6

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

2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine (PubChem CID 174475333) has the molecular formula C32H30N10O3 and a molecular weight of 602.66 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine
PubChem CID174475333
Molecular FormulaC32H30N10O3
Molecular Weight602.66 g/mol
Exact Mass602.25
IUPAC Name2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine
SMILESc1c[nH]c(C2(c3ccc4nc(-c5ccc(-c6nc7ccc(C8(c9ncc[nH]9)CNCCO8)cc7[nH]6)o5)[nH]c4c3)CNCCO2)n1
InChIInChI=1S/C32H30N10O3/c1-3-21-23(15-19(1)31(17-33-11-13-43-31)29-35-7-8-36-29)41-27(39-21)25-5-6-26(45-25)28-40-22-4-2-20(16-24(22)42-28)32(18-34-12-14-44-32)30-37-9-10-38-30/h1-10,15-16,33-34H,11-14,17-18H2,(H,35,36)(H,37,38)(H,39,41)(H,40,42)
InChIKeyWGMZQCJAASINST-UHFFFAOYSA-N
XLogP3.54
TPSA170.38 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.66
LogP ≤ 53.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine (CID 174475333) is 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine is c1c[nH]c(C2(c3ccc4nc(-c5ccc(-c6nc7ccc(C8(c9ncc[nH]9)CNCCO8)cc7[nH]6)o5)[nH]c4c3)CNCCO2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine?
The InChIKey is WGMZQCJAASINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N10O3/c1-3-21-23(15-19(1)31(17-33-11-13-43-31)29-35-7-8-36-29)41-27(39-21)25-5-6-26(45-25)28-40-22-4-2-20(16-24(22)42-28)32(18-34-12-14-44-32)30-37-9-10-38-30/h1-10,15-16,33-34H,11-14,17-18H2,(H,35,36)(H,37,38)(H,39,41)(H,40,42).
What are the key properties of 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine?
2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine has a molecular weight of 602.66 g/mol, XLogP of 3.54, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-[2-[5-[6-[2-(1H-imidazol-2-yl)morpholin-2-yl]-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 174475333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).