3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H29ClN4O — CID 10251795

IUPAC3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C24H29ClN4O/c25-21-6-2-1-5-18(21)17-27-13-9-19(10-14-27)28-15-11-20(12-16-28)29-23-8-4-3-7-22(23)26-24(29)30/h1-8,19-20H,9-17H2,(H,26,30)
InChIKeyAQMPTYUVSBXZPZ-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.28
Rot. Bonds4

About 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 10251795) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID10251795
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1
InChIInChI=1S/C24H29ClN4O/c25-21-6-2-1-5-18(21)17-27-13-9-19(10-14-27)28-15-11-20(12-16-28)29-23-8-4-3-7-22(23)26-24(29)30/h1-8,19-20H,9-17H2,(H,26,30)
InChIKeyAQMPTYUVSBXZPZ-UHFFFAOYSA-N
XLogP4.28
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 10251795) is 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1.
What is the InChIKey of 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AQMPTYUVSBXZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c25-21-6-2-1-5-18(21)17-27-13-9-19(10-14-27)28-15-11-20(12-16-28)29-23-8-4-3-7-22(23)26-24(29)30/h1-8,19-20H,9-17H2,(H,26,30).
What are the key properties of 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 424.98 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10251795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).