4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide

C21H23BrN4O2 — CID 151944992

IUPAC4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)cc1
InChIInChI=1S/C21H23BrN4O2/c1-2-14-6-8-15(9-7-14)23-20(27)25-12-10-16(11-13-25)26-18-5-3-4-17(22)19(18)24-21(26)28/h3-9,16H,2,10-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyTVLOTLWICRYNSY-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.52
Rot. Bonds3

About 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide

4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide (PubChem CID 151944992) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
PubChem CID151944992
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)cc1
InChIInChI=1S/C21H23BrN4O2/c1-2-14-6-8-15(9-7-14)23-20(27)25-12-10-16(11-13-25)26-18-5-3-4-17(22)19(18)24-21(26)28/h3-9,16H,2,10-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyTVLOTLWICRYNSY-UHFFFAOYSA-N
XLogP4.52
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4615
CID 4615
CID 145975294
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CID 44573131
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CID 10199387
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CID 10222094
CID 10222094
CID 24768238
CID 24768238
CID 21262767
CID 21262767
CID 137321164
CID 137321164
CID 10126139
CID 10126139
CID 10215835
CID 10215835
CID 10237325
CID 10237325
CID 10309280
CID 10309280

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide (CID 151944992) is 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)cc1.
What is the InChIKey of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is TVLOTLWICRYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-2-14-6-8-15(9-7-14)23-20(27)25-12-10-16(11-13-25)26-18-5-3-4-17(22)19(18)24-21(26)28/h3-9,16H,2,10-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 151944992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).