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

C20H22ClN3O — CID 130431408

IUPAC3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O/c1-14-6-7-19-18(12-14)22-20(25)24(19)16-8-10-23(11-9-16)13-15-4-2-3-5-17(15)21/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)
InChIKeyVHESADBTUOCYJU-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.13
Rot. Bonds3

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

3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one (PubChem CID 130431408) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
PubChem CID130431408
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O/c1-14-6-7-19-18(12-14)22-20(25)24(19)16-8-10-23(11-9-16)13-15-4-2-3-5-17(15)21/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)
InChIKeyVHESADBTUOCYJU-UHFFFAOYSA-N
XLogP4.13
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one (CID 130431408) is 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one?
The InChIKey is VHESADBTUOCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14-6-7-19-18(12-14)22-20(25)24(19)16-8-10-23(11-9-16)13-15-4-2-3-5-17(15)21/h2-7,12,16H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one?
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one has a molecular weight of 355.87 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 130431408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).