N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide

C23H26BrFN4O2 — CID 159011987

IUPACN-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide
SMILESBr.CN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2.BrH/c1-26(19-9-11-27(12-10-19)14-17-5-3-2-4-6-17)23(30)28-15-21(25-16-28)18-7-8-22(29)20(24)13-18;/h2-8,13,15-16,19,29H,9-12,14H2,1H3;1H
InChIKeyUZQRLKPGKHGSIW-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.54
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide

N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide (PubChem CID 159011987) has the molecular formula C23H26BrFN4O2 and a molecular weight of 489.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide
PubChem CID159011987
Molecular FormulaC23H26BrFN4O2
Molecular Weight489.39 g/mol
Exact Mass488.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide
SMILESBr.CN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2.BrH/c1-26(19-9-11-27(12-10-19)14-17-5-3-2-4-6-17)23(30)28-15-21(25-16-28)18-7-8-22(29)20(24)13-18;/h2-8,13,15-16,19,29H,9-12,14H2,1H3;1H
InChIKeyUZQRLKPGKHGSIW-UHFFFAOYSA-N
XLogP4.54
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
CID 66683001
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683058
N-(1-benzylpiperidin-4-yl)-4-[3-(hydroxycarbamoyl)phenyl]-N-methylimidazole-1-carboxamide
CID 87105205
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-chlorophenyl)imidazole-1-carboxylate
CID 158648644
4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 130385080
N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66682485
4-[2-[[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]amino]ethyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 130385085
N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683135
1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
CID 158992619
bis(4-[3-(carbamoylamino)phenyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-methylimidazole-1-carboxamide);dihydrochloride
CID 157156754
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate
CID 66713848

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide (CID 159011987) is N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide is Br.CN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide?
The InChIKey is UZQRLKPGKHGSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2.BrH/c1-26(19-9-11-27(12-10-19)14-17-5-3-2-4-6-17)23(30)28-15-21(25-16-28)18-7-8-22(29)20(24)13-18;/h2-8,13,15-16,19,29H,9-12,14H2,1H3;1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide?
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide has a molecular weight of 489.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide is sourced from PubChem (CID 159011987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).