7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one

C25H20Cl2FN5O — CID 24936279

IUPAC7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2ccc(F)c(Cl)c2)C(c2ccccn2)C12CCN(c1nc3ccc(Cl)cc3[nH]1)CC2
InChIInChI=1S/C25H20Cl2FN5O/c26-15-4-7-19-21(13-15)31-24(30-19)32-11-8-25(9-12-32)22(20-3-1-2-10-29-20)33(23(25)34)16-5-6-18(28)17(27)14-16/h1-7,10,13-14,22H,8-9,11-12H2,(H,30,31)
InChIKeyGMHHJIDHWAEXMJ-UHFFFAOYSA-N
MW496.37 g/mol
LogP5.78
Rot. Bonds3

About 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one

7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 24936279) has the molecular formula C25H20Cl2FN5O and a molecular weight of 496.37 g/mol. Its IUPAC name is 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID24936279
Molecular FormulaC25H20Cl2FN5O
Molecular Weight496.37 g/mol
Exact Mass495.10
IUPAC Name7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2ccc(F)c(Cl)c2)C(c2ccccn2)C12CCN(c1nc3ccc(Cl)cc3[nH]1)CC2
InChIInChI=1S/C25H20Cl2FN5O/c26-15-4-7-19-21(13-15)31-24(30-19)32-11-8-25(9-12-32)22(20-3-1-2-10-29-20)33(23(25)34)16-5-6-18(28)17(27)14-16/h1-7,10,13-14,22H,8-9,11-12H2,(H,30,31)
InChIKeyGMHHJIDHWAEXMJ-UHFFFAOYSA-N
XLogP5.78
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.37
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one (CID 24936279) is 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one is O=C1N(c2ccc(F)c(Cl)c2)C(c2ccccn2)C12CCN(c1nc3ccc(Cl)cc3[nH]1)CC2.
What is the InChIKey of 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is GMHHJIDHWAEXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN5O/c26-15-4-7-19-21(13-15)31-24(30-19)32-11-8-25(9-12-32)22(20-3-1-2-10-29-20)33(23(25)34)16-5-6-18(28)17(27)14-16/h1-7,10,13-14,22H,8-9,11-12H2,(H,30,31).
What are the key properties of 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 496.37 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-1H-benzimidazol-2-yl)-2-(3-chloro-4-fluorophenyl)-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 24936279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).