N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide

C18H15F2N3O2 — CID 111451586

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cncn1-c1ccccc1
InChIInChI=1S/C18H15F2N3O2/c19-13-7-4-8-14(20)17(13)16(24)10-22-18(25)15-9-21-11-23(15)12-5-2-1-3-6-12/h1-9,11,16,24H,10H2,(H,22,25)
InChIKeyAYPGVUKHKUYCQM-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide (PubChem CID 111451586) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
PubChem CID111451586
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cncn1-c1ccccc1
InChIInChI=1S/C18H15F2N3O2/c19-13-7-4-8-14(20)17(13)16(24)10-22-18(25)15-9-21-11-23(15)12-5-2-1-3-6-12/h1-9,11,16,24H,10H2,(H,22,25)
InChIKeyAYPGVUKHKUYCQM-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide (CID 111451586) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide is O=C(NCC(O)c1c(F)cccc1F)c1cncn1-c1ccccc1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is AYPGVUKHKUYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-13-7-4-8-14(20)17(13)16(24)10-22-18(25)15-9-21-11-23(15)12-5-2-1-3-6-12/h1-9,11,16,24H,10H2,(H,22,25).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 111451586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).