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

C19H18BrN3O2 — CID 44756975

IUPAC3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccccc1Br)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H18BrN3O2/c20-15-6-2-1-5-14(15)18(24)22-11-9-13(10-12-22)23-17-8-4-3-7-16(17)21-19(23)25/h1-8,13H,9-12H2,(H,21,25)
InChIKeyRNIUFBDQTKOUHG-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.57
Rot. Bonds2

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

3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 44756975) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID44756975
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccccc1Br)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H18BrN3O2/c20-15-6-2-1-5-14(15)18(24)22-11-9-13(10-12-22)23-17-8-4-3-7-16(17)21-19(23)25/h1-8,13H,9-12H2,(H,21,25)
InChIKeyRNIUFBDQTKOUHG-UHFFFAOYSA-N
XLogP3.57
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
3-[1-(2-methyl-5-methylsulfanylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 52559061
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 17439879
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 44756975) is 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccccc1Br)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RNIUFBDQTKOUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-15-6-2-1-5-14(15)18(24)22-11-9-13(10-12-22)23-17-8-4-3-7-16(17)21-19(23)25/h1-8,13H,9-12H2,(H,21,25).
What are the key properties of 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 400.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 44756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).