4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide

C19H22BrN3O2 — CID 11315661

IUPAC4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)CNC(=O)C1CCC(c2ncc(-c3cccc(Br)c3)[nH]2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-12(24)10-22-19(25)14-7-5-13(6-8-14)18-21-11-17(23-18)15-3-2-4-16(20)9-15/h2-4,9,11,13-14H,5-8,10H2,1H3,(H,21,23)(H,22,25)
InChIKeyFHTXCGJNDDPSQI-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.82
Rot. Bonds5

About 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide

4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide (PubChem CID 11315661) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide
PubChem CID11315661
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)CNC(=O)C1CCC(c2ncc(-c3cccc(Br)c3)[nH]2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-12(24)10-22-19(25)14-7-5-13(6-8-14)18-21-11-17(23-18)15-3-2-4-16(20)9-15/h2-4,9,11,13-14H,5-8,10H2,1H3,(H,21,23)(H,22,25)
InChIKeyFHTXCGJNDDPSQI-UHFFFAOYSA-N
XLogP3.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 11509611
butyl N-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 44439663
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-2-carboxamide
CID 44589485
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-3-carboxamide
CID 44589486
(S)-1-methyl-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-4-carboxamide
CID 44589487
(S)-2-(4-methylpiperazin-1-yl)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)acetamide
CID 44589488
(S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)-3-(piperidin-1-yl)propanamide
CID 44589523
(S)-N-(1-(5-(biphenyl-4-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589633
1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)pyrrolidine-3-carboxamide
CID 44590159
(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone
CID 11087037
N-(2-methoxyethyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 11257948
N-(2-aminoethyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 11326472

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide (CID 11315661) is 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide is CC(=O)CNC(=O)C1CCC(c2ncc(-c3cccc(Br)c3)[nH]2)CC1.
What is the InChIKey of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The InChIKey is FHTXCGJNDDPSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-12(24)10-22-19(25)14-7-5-13(6-8-14)18-21-11-17(23-18)15-3-2-4-16(20)9-15/h2-4,9,11,13-14H,5-8,10H2,1H3,(H,21,23)(H,22,25).
What are the key properties of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide?
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-(2-oxopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11315661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).