5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide

C11H9ClFN3O — CID 116884056

IUPAC5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide
SMILESCc1cc(Cl)c(-c2cnc(C(N)=O)[nH]2)cc1F
InChIInChI=1S/C11H9ClFN3O/c1-5-2-7(12)6(3-8(5)13)9-4-15-11(16-9)10(14)17/h2-4H,1H3,(H2,14,17)(H,15,16)
InChIKeyKQLDUKQFCVYFSW-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.28
Rot. Bonds2

About 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide

5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide (PubChem CID 116884056) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide
PubChem CID116884056
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide
SMILESCc1cc(Cl)c(-c2cnc(C(N)=O)[nH]2)cc1F
InChIInChI=1S/C11H9ClFN3O/c1-5-2-7(12)6(3-8(5)13)9-4-15-11(16-9)10(14)17/h2-4H,1H3,(H2,14,17)(H,15,16)
InChIKeyKQLDUKQFCVYFSW-UHFFFAOYSA-N
XLogP2.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879266
5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 116879963
5-(2,5-difluorophenyl)-1H-imidazole-2-carboxamide
CID 116883966
5-(4-chlorophenyl)-1H-imidazole-2-carboxamide
CID 116883933
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
6-(2-chloro-5-fluoro-4-methylphenyl)-1H-pyrimidine-2-thione
CID 116900654
5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
CID 116883976
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
CID 170620232
methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116880373
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide (CID 116884056) is 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide is Cc1cc(Cl)c(-c2cnc(C(N)=O)[nH]2)cc1F.
What is the InChIKey of 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide?
The InChIKey is KQLDUKQFCVYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-5-2-7(12)6(3-8(5)13)9-4-15-11(16-9)10(14)17/h2-4H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide?
5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 116884056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).