6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H23ClN4O — CID 19863552

IUPAC6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1C1CCN(Cc2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H23ClN4O/c25-18-9-10-23-22(15-18)27-24(30)29(23)20-11-13-28(14-12-20)16-19-7-4-8-21(26-19)17-5-2-1-3-6-17/h1-10,15,20H,11-14,16H2,(H,27,30)
InChIKeyWJRPSOGWJQPVLL-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.88
Rot. Bonds4

About 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 19863552) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID19863552
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1C1CCN(Cc2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H23ClN4O/c25-18-9-10-23-22(15-18)27-24(30)29(23)20-11-13-28(14-12-20)16-19-7-4-8-21(26-19)17-5-2-1-3-6-17/h1-10,15,20H,11-14,16H2,(H,27,30)
InChIKeyWJRPSOGWJQPVLL-UHFFFAOYSA-N
XLogP4.88
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 19863552) is 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(Cl)ccc2n1C1CCN(Cc2cccc(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is WJRPSOGWJQPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-18-9-10-23-22(15-18)27-24(30)29(23)20-11-13-28(14-12-20)16-19-7-4-8-21(26-19)17-5-2-1-3-6-17/h1-10,15,20H,11-14,16H2,(H,27,30).
What are the key properties of 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 418.93 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 19863552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).