1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide

C17H14F2N4O2 — CID 16678701

IUPAC1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide
SMILESCOCNC(=O)c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1
InChIInChI=1S/C17H14F2N4O2/c1-25-10-22-17(24)14-8-23(9-21-14)12-4-2-3-11(7-12)15-13(18)5-6-20-16(15)19/h2-9H,10H2,1H3,(H,22,24)
InChIKeyHKLRLCDPEKTFCN-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.55
Rot. Bonds5

About 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide

1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide (PubChem CID 16678701) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide
PubChem CID16678701
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide
SMILESCOCNC(=O)c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1
InChIInChI=1S/C17H14F2N4O2/c1-25-10-22-17(24)14-8-23(9-21-14)12-4-2-3-11(7-12)15-13(18)5-6-20-16(15)19/h2-9H,10H2,1H3,(H,22,24)
InChIKeyHKLRLCDPEKTFCN-UHFFFAOYSA-N
XLogP2.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 67429505
[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
CID 16679206
2-bromopyrimidine;[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 87396393
N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
CID 100816395
1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 171132837
N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
1-(3,5-dichlorophenyl)-N-methylimidazole-4-carboxamide;1-fluoro-2,3-dimethylbenzene;formaldehyde
CID 142342272
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone
CID 67429019
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide?
The IUPAC name of 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide (CID 16678701) is 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide is COCNC(=O)c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1.
What is the InChIKey of 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide?
The InChIKey is HKLRLCDPEKTFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-25-10-22-17(24)14-8-23(9-21-14)12-4-2-3-11(7-12)15-13(18)5-6-20-16(15)19/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide?
1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluoro-3-pyridinyl)phenyl]-N-(methoxymethyl)imidazole-4-carboxamide is sourced from PubChem (CID 16678701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).