N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide

C16H19BrFN3O — CID 66888857

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide
SMILESCC(C)CN(Cc1ccc(F)c(Br)c1)C(=O)c1cn(C)cn1
InChIInChI=1S/C16H19BrFN3O/c1-11(2)7-21(16(22)15-9-20(3)10-19-15)8-12-4-5-14(18)13(17)6-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyHLJLTROPMFDLSF-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.62
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide

N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide (PubChem CID 66888857) has the molecular formula C16H19BrFN3O and a molecular weight of 368.25 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide
PubChem CID66888857
Molecular FormulaC16H19BrFN3O
Molecular Weight368.25 g/mol
Exact Mass367.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide
SMILESCC(C)CN(Cc1ccc(F)c(Br)c1)C(=O)c1cn(C)cn1
InChIInChI=1S/C16H19BrFN3O/c1-11(2)7-21(16(22)15-9-20(3)10-19-15)8-12-4-5-14(18)13(17)6-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyHLJLTROPMFDLSF-UHFFFAOYSA-N
XLogP3.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
N-[(3-bromo-4-fluorophenyl)methyl]cyclobutanamine;N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclobutyl-1-methylimidazole-4-carboxamide;1-methylimidazole-4-carboxylic acid
CID 160635990
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylimidazole-4-carboxamide
CID 107975497
N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 50899822
N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 56943997
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-[1-(2-hydroxypropyl)azepan-4-yl]-1-methylimidazole-4-carboxamide
CID 24989208
N-[(1S)-1-(2-bromophenyl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 124614416
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119
N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944388
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 87145442
2-[(3-bromo-4-fluorophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 55246136
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 11952389

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide (CID 66888857) is N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide is CC(C)CN(Cc1ccc(F)c(Br)c1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide?
The InChIKey is HLJLTROPMFDLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3O/c1-11(2)7-21(16(22)15-9-20(3)10-19-15)8-12-4-5-14(18)13(17)6-12/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide?
N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide has a molecular weight of 368.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 66888857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).