N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide

C17H20FN3O2 — CID 66683058

IUPACN-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCCCC1
InChIInChI=1S/C17H20FN3O2/c1-20(13-5-3-2-4-6-13)17(23)21-10-15(19-11-21)12-7-8-16(22)14(18)9-12/h7-11,13,22H,2-6H2,1H3
InChIKeyIRRWRGOZBKZTJB-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.63
Rot. Bonds2

About N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide

N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide (PubChem CID 66683058) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
PubChem CID66683058
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCCCC1
InChIInChI=1S/C17H20FN3O2/c1-20(13-5-3-2-4-6-13)17(23)21-10-15(19-11-21)12-7-8-16(22)14(18)9-12/h7-11,13,22H,2-6H2,1H3
InChIKeyIRRWRGOZBKZTJB-UHFFFAOYSA-N
XLogP3.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide (CID 66683058) is N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is IRRWRGOZBKZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20(13-5-3-2-4-6-13)17(23)21-10-15(19-11-21)12-7-8-16(22)14(18)9-12/h7-11,13,22H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 66683058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).