6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

C20H22ClN3O — CID 1452967

IUPAC6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOc1ccc(CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c1-25-17-5-2-14(3-6-17)13-24-10-8-15(9-11-24)20-22-18-7-4-16(21)12-19(18)23-20/h2-7,12,15H,8-11,13H2,1H3,(H,22,23)
InChIKeyIJRSEIDLNQDTRP-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.60
Rot. Bonds4

About 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole

6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 1452967) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID1452967
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOc1ccc(CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c1-25-17-5-2-14(3-6-17)13-24-10-8-15(9-11-24)20-22-18-7-4-16(21)12-19(18)23-20/h2-7,12,15H,8-11,13H2,1H3,(H,22,23)
InChIKeyIJRSEIDLNQDTRP-UHFFFAOYSA-N
XLogP4.60
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 1452967) is 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is COc1ccc(CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1.
What is the InChIKey of 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is IJRSEIDLNQDTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-17-5-2-14(3-6-17)13-24-10-8-15(9-11-24)20-22-18-7-4-16(21)12-19(18)23-20/h2-7,12,15H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole?
6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 355.87 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 1452967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).