4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one

C20H17ClN2O2 — CID 44579807

IUPAC4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H17ClN2O2/c21-13-5-6-16-17(11-13)23-18(22-16)12-7-9-20(10-8-12)15-4-2-1-3-14(15)19(24)25-20/h1-6,11-12H,7-10H2,(H,22,23)
InChIKeyMRAUSWDIGQKZKV-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.94
Rot. Bonds1

About 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one

4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 44579807) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID44579807
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H17ClN2O2/c21-13-5-6-16-17(11-13)23-18(22-16)12-7-9-20(10-8-12)15-4-2-1-3-14(15)19(24)25-20/h1-6,11-12H,7-10H2,(H,22,23)
InChIKeyMRAUSWDIGQKZKV-UHFFFAOYSA-N
XLogP4.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (CID 44579807) is 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is O=C1OC2(CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is MRAUSWDIGQKZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-13-5-6-16-17(11-13)23-18(22-16)12-7-9-20(10-8-12)15-4-2-1-3-14(15)19(24)25-20/h1-6,11-12H,7-10H2,(H,22,23).
What are the key properties of 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 352.82 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 44579807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).