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

C20H22ClN3O2 — CID 11046929

IUPAC3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-26-16-7-6-14(17(21)12-16)13-23-10-8-15(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
InChIKeyNLFJWBFDRSJFQD-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.83
Rot. Bonds4

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

3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 11046929) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID11046929
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-26-16-7-6-14(17(21)12-16)13-23-10-8-15(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)
InChIKeyNLFJWBFDRSJFQD-UHFFFAOYSA-N
XLogP3.83
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 11046929) is 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(Cl)c1.
What is the InChIKey of 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is NLFJWBFDRSJFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-26-16-7-6-14(17(21)12-16)13-23-10-8-15(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 371.87 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 11046929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).