N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide

C17H19BrFN3O — CID 66888537

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccc(F)c(Br)c2)C2CCCC2)c1
InChIInChI=1S/C17H19BrFN3O/c1-21-10-16(20-11-21)17(23)22(13-4-2-3-5-13)9-12-6-7-15(19)14(18)8-12/h6-8,10-11,13H,2-5,9H2,1H3
InChIKeyHXLVCRCKHFYIIN-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.91
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide

N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide (PubChem CID 66888537) has the molecular formula C17H19BrFN3O and a molecular weight of 380.26 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
PubChem CID66888537
Molecular FormulaC17H19BrFN3O
Molecular Weight380.26 g/mol
Exact Mass379.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccc(F)c(Br)c2)C2CCCC2)c1
InChIInChI=1S/C17H19BrFN3O/c1-21-10-16(20-11-21)17(23)22(13-4-2-3-5-13)9-12-6-7-15(19)14(18)8-12/h6-8,10-11,13H,2-5,9H2,1H3
InChIKeyHXLVCRCKHFYIIN-UHFFFAOYSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944388
N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-(2-methylpropyl)imidazole-4-carboxamide
CID 66888857
N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 86690499
N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944292
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-[1-(2-hydroxypropyl)azepan-4-yl]-1-methylimidazole-4-carboxamide
CID 24989208
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319
1-methyl-N-(thian-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 46916816
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
CID 46231013
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-N-[1-(2-morpholin-4-yl-2-oxo-1-phenylethyl)azepan-4-yl]imidazole-4-carboxamide
CID 24989589
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107974303

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide (CID 66888537) is N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2ccc(F)c(Br)c2)C2CCCC2)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The InChIKey is HXLVCRCKHFYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O/c1-21-10-16(20-11-21)17(23)22(13-4-2-3-5-13)9-12-6-7-15(19)14(18)8-12/h6-8,10-11,13H,2-5,9H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide?
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide has a molecular weight of 380.26 g/mol, XLogP of 3.91, 4 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]-N-cyclopentyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 66888537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).