2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide

C12H13FN4O — CID 62748327

IUPAC2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
SMILESCc1[nH]cnc1CNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H13FN4O/c1-7-11(17-6-16-7)5-15-8-2-3-10(13)9(4-8)12(14)18/h2-4,6,15H,5H2,1H3,(H2,14,18)(H,16,17)
InChIKeyQAKIVIMBSMVJEV-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.57
Rot. Bonds4

About 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide

2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide (PubChem CID 62748327) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
PubChem CID62748327
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
SMILESCc1[nH]cnc1CNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H13FN4O/c1-7-11(17-6-16-7)5-15-8-2-3-10(13)9(4-8)12(14)18/h2-4,6,15H,5H2,1H3,(H2,14,18)(H,16,17)
InChIKeyQAKIVIMBSMVJEV-UHFFFAOYSA-N
XLogP1.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
2-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzoic acid
CID 62741745
2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62749405
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
CID 62357763
2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62741383
methyl 2-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenoxy]acetate
CID 62748889
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide
CID 106274648
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The IUPAC name of 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide (CID 62748327) is 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide is Cc1[nH]cnc1CNc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The InChIKey is QAKIVIMBSMVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-11(17-6-16-7)5-15-8-2-3-10(13)9(4-8)12(14)18/h2-4,6,15H,5H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide has a molecular weight of 248.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62748327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).