2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide

C11H11FN4O — CID 141271061

IUPAC2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)[nH]2)cc1F
InChIInChI=1S/C11H11FN4O/c1-6-2-3-7(4-8(6)12)15-10(17)9-5-14-11(13)16-9/h2-5H,1H3,(H,15,17)(H3,13,14,16)
InChIKeyHSCCOGWSRYWUCZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.69
Rot. Bonds2

About 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide

2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 141271061) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide
PubChem CID141271061
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)[nH]2)cc1F
InChIInChI=1S/C11H11FN4O/c1-6-2-3-7(4-8(6)12)15-10(17)9-5-14-11(13)16-9/h2-5H,1H3,(H,15,17)(H3,13,14,16)
InChIKeyHSCCOGWSRYWUCZ-UHFFFAOYSA-N
XLogP1.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide (CID 141271061) is 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N)[nH]2)cc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is HSCCOGWSRYWUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-2-3-7(4-8(6)12)15-10(17)9-5-14-11(13)16-9/h2-5H,1H3,(H,15,17)(H3,13,14,16).
What are the key properties of 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide?
2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141271061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).