6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one

C15H20ClN3O — CID 71454275

IUPAC6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C15H20ClN3O/c1-2-7-18-8-5-12(6-9-18)19-14-4-3-11(16)10-13(14)17-15(19)20/h3-4,10,12H,2,5-9H2,1H3,(H,17,20)
InChIKeyBTJHDQFIFDTGOW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.03
Rot. Bonds3

About 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one

6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one (PubChem CID 71454275) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one
PubChem CID71454275
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C15H20ClN3O/c1-2-7-18-8-5-12(6-9-18)19-14-4-3-11(16)10-13(14)17-15(19)20/h3-4,10,12H,2,5-9H2,1H3,(H,17,20)
InChIKeyBTJHDQFIFDTGOW-UHFFFAOYSA-N
XLogP3.03
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one (CID 71454275) is 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one is CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.
What is the InChIKey of 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one?
The InChIKey is BTJHDQFIFDTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-7-18-8-5-12(6-9-18)19-14-4-3-11(16)10-13(14)17-15(19)20/h3-4,10,12H,2,5-9H2,1H3,(H,17,20).
What are the key properties of 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one?
6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one has a molecular weight of 293.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-propylpiperidin-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 71454275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).