N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide

C26H27BrN4O4 — CID 21109753

IUPACN-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccccc4)[nH]c3=O)CC2)cc1Br
InChIInChI=1S/C26H27BrN4O4/c1-17(32)28-22-8-7-19(15-21(22)27)24(33)9-10-25(34)30-13-11-20(12-14-30)31-16-23(29-26(31)35)18-5-3-2-4-6-18/h2-8,15-16,20H,9-14H2,1H3,(H,28,32)(H,29,35)
InChIKeyHAJVTBPSRYCFAE-UHFFFAOYSA-N
MW539.43 g/mol
LogP4.39
Rot. Bonds7

About N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide

N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide (PubChem CID 21109753) has the molecular formula C26H27BrN4O4 and a molecular weight of 539.43 g/mol. Its IUPAC name is N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide
PubChem CID21109753
Molecular FormulaC26H27BrN4O4
Molecular Weight539.43 g/mol
Exact Mass538.12
IUPAC NameN-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccccc4)[nH]c3=O)CC2)cc1Br
InChIInChI=1S/C26H27BrN4O4/c1-17(32)28-22-8-7-19(15-21(22)27)24(33)9-10-25(34)30-13-11-20(12-14-30)31-16-23(29-26(31)35)18-5-3-2-4-6-18/h2-8,15-16,20H,9-14H2,1H3,(H,28,32)(H,29,35)
InChIKeyHAJVTBPSRYCFAE-UHFFFAOYSA-N
XLogP4.39
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3,5-dibromophenyl)-4-[4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109757
1-(4-amino-3,5-dibromophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109755
N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11849148
N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 143085580
N-[1-acetyl-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-diazepan-6-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 72754219
(3R,5R)-1-(cyclopropylmethyl)-3-[[hydroxy-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]amino]-5-methylazepan-2-one
CID 143173431
5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
CID 67344326
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione
CID 119411621
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11721849
N-[(2S,6S)-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11261077
3-(1-ethylpiperidin-4-yl)-5-(3-hydroxyphenyl)-1H-imidazol-2-one
CID 59767849

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide (CID 21109753) is N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccccc4)[nH]c3=O)CC2)cc1Br.
What is the InChIKey of N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide?
The InChIKey is HAJVTBPSRYCFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O4/c1-17(32)28-22-8-7-19(15-21(22)27)24(33)9-10-25(34)30-13-11-20(12-14-30)31-16-23(29-26(31)35)18-5-3-2-4-6-18/h2-8,15-16,20H,9-14H2,1H3,(H,28,32)(H,29,35).
What are the key properties of N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide?
N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide has a molecular weight of 539.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide is sourced from PubChem (CID 21109753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).