1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide

C7H10FN3O — CID 89157790

IUPAC1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(N)=O)cn1CCF
InChIInChI=1S/C7H10FN3O/c1-5-10-6(7(9)12)4-11(5)3-2-8/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyMMBKUOSMRXQLKV-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.26
Rot. Bonds3

About 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide

1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide (PubChem CID 89157790) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide
PubChem CID89157790
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(N)=O)cn1CCF
InChIInChI=1S/C7H10FN3O/c1-5-10-6(7(9)12)4-11(5)3-2-8/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyMMBKUOSMRXQLKV-UHFFFAOYSA-N
XLogP0.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one
CID 159327359
1-(2-aminoethyl)-2-methylimidazol-4-amine
CID 140552269
1-[1-(2-fluoroethyl)triazol-4-yl]ethanone
CID 126982419
ethyl 3-fluoro-1-(2-fluoroethyl)pyrrole-2-carboxylate
CID 178045868
2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
CID 165485276
2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide
CID 70133022
2-methyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 82288749
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
2-methyl-1-propylimidazol-4-amine
CID 96637333
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate
CID 174584363

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide (CID 89157790) is 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide is Cc1nc(C(N)=O)cn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide?
The InChIKey is MMBKUOSMRXQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5-10-6(7(9)12)4-11(5)3-2-8/h4H,2-3H2,1H3,(H2,9,12).
What are the key properties of 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide?
1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide has a molecular weight of 171.17 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 89157790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).