3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide

C10H9F2N3O — CID 174883193

IUPAC3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide
SMILESNC(=O)N1C=CN(c2c(F)cccc2F)C1
InChIInChI=1S/C10H9F2N3O/c11-7-2-1-3-8(12)9(7)14-4-5-15(6-14)10(13)16/h1-5H,6H2,(H2,13,16)
InChIKeyFODTZKRGDRDQHJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.59
Rot. Bonds1

About 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide

3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide (PubChem CID 174883193) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide
PubChem CID174883193
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide
SMILESNC(=O)N1C=CN(c2c(F)cccc2F)C1
InChIInChI=1S/C10H9F2N3O/c11-7-2-1-3-8(12)9(7)14-4-5-15(6-14)10(13)16/h1-5H,6H2,(H2,13,16)
InChIKeyFODTZKRGDRDQHJ-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 29852
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CID 25740
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CID 791811
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CID 12115
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CID 78316
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CID 25827
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CID 13906
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CID 676515
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CID 2059381
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CID 292811
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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide (CID 174883193) is 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide is NC(=O)N1C=CN(c2c(F)cccc2F)C1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide?
The InChIKey is FODTZKRGDRDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-7-2-1-3-8(12)9(7)14-4-5-15(6-14)10(13)16/h1-5H,6H2,(H2,13,16).
What are the key properties of 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide?
3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide has a molecular weight of 225.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2H-imidazole-1-carboxamide is sourced from PubChem (CID 174883193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).