N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide

C15H12ClFN4OS — CID 69236234

IUPACN-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
SMILESNc1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)c(F)c1
InChIInChI=1S/C15H12ClFN4OS/c16-14-4-3-13(23-14)15(22)19-6-10-7-21(8-20-10)12-2-1-9(18)5-11(12)17/h1-5,7-8H,6,18H2,(H,19,22)
InChIKeyBUFBEDMCTIVBKJ-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.24
Rot. Bonds4

About N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 69236234) has the molecular formula C15H12ClFN4OS and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
PubChem CID69236234
Molecular FormulaC15H12ClFN4OS
Molecular Weight350.81 g/mol
Exact Mass350.04
IUPAC NameN-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
SMILESNc1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)c(F)c1
InChIInChI=1S/C15H12ClFN4OS/c16-14-4-3-13(23-14)15(22)19-6-10-7-21(8-20-10)12-2-1-9(18)5-11(12)17/h1-5,7-8H,6,18H2,(H,19,22)
InChIKeyBUFBEDMCTIVBKJ-UHFFFAOYSA-N
XLogP3.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24760753
5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24986898
5-chloro-N-[[1-[4-[2-(cyanoamino)-2H-pyridin-1-yl]phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 87222115
N-[[1-[4-[[(1Z)-buta-1,3-dienyl]-carbamoylamino]-2-fluorophenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 89260666
4-(4-tert-butylimidazol-1-yl)-3-fluoroaniline
CID 82513179
5-chloro-N-[[1-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-pyridin-4-ylimidazol-4-yl]methyl]thiophene-2-carboxamide
CID 59672119
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
CID 87690534
CID 87690534
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 69236234) is N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide is Nc1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)c(F)c1.
What is the InChIKey of N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is BUFBEDMCTIVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4OS/c16-14-4-3-13(23-14)15(22)19-6-10-7-21(8-20-10)12-2-1-9(18)5-11(12)17/h1-5,7-8H,6,18H2,(H,19,22).
What are the key properties of N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide?
N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 69236234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).