3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C18H17BrN4O2 — CID 55431925

IUPAC3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cncc(Br)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C18H17BrN4O2/c19-13-9-12(10-20-11-13)17(24)22-7-5-14(6-8-22)23-16-4-2-1-3-15(16)21-18(23)25/h1-4,9-11,14H,5-8H2,(H,21,25)
InChIKeyQZWAAUHHHLREOL-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.96
Rot. Bonds2

About 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 55431925) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID55431925
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cncc(Br)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C18H17BrN4O2/c19-13-9-12(10-20-11-13)17(24)22-7-5-14(6-8-22)23-16-4-2-1-3-15(16)21-18(23)25/h1-4,9-11,14H,5-8H2,(H,21,25)
InChIKeyQZWAAUHHHLREOL-UHFFFAOYSA-N
XLogP2.96
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
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-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
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
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 53482021
3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 70724622

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 55431925) is 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1cncc(Br)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QZWAAUHHHLREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c19-13-9-12(10-20-11-13)17(24)22-7-5-14(6-8-22)23-16-4-2-1-3-15(16)21-18(23)25/h1-4,9-11,14H,5-8H2,(H,21,25).
What are the key properties of 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 401.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 55431925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).