9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

C23H25ClN4O — CID 53259119

IUPAC9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2
InChIInChI=1S/C23H25ClN4O/c24-18-6-3-5-17(15-18)16-28-12-4-9-23(21(28)29)10-13-27(14-11-23)22-25-19-7-1-2-8-20(19)26-22/h1-3,5-8,15H,4,9-14,16H2,(H,25,26)
InChIKeyMYGHHCVTMJHSJV-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.63
Rot. Bonds3

About 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259119) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259119
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2
InChIInChI=1S/C23H25ClN4O/c24-18-6-3-5-17(15-18)16-28-12-4-9-23(21(28)29)10-13-27(14-11-23)22-25-19-7-1-2-8-20(19)26-22/h1-3,5-8,15H,4,9-14,16H2,(H,25,26)
InChIKeyMYGHHCVTMJHSJV-UHFFFAOYSA-N
XLogP4.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 53259119) is 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2.
What is the InChIKey of 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is MYGHHCVTMJHSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c24-18-6-3-5-17(15-18)16-28-12-4-9-23(21(28)29)10-13-27(14-11-23)22-25-19-7-1-2-8-20(19)26-22/h1-3,5-8,15H,4,9-14,16H2,(H,25,26).
What are the key properties of 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 408.93 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).