3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide

C17H15FN4O — CID 39949661

IUPAC3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cncn1-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C17H15FN4O/c1-12(13-6-8-19-9-7-13)21-17(23)16-10-20-11-22(16)15-4-2-14(18)3-5-15/h2-12H,1H3,(H,21,23)/t12-/m0/s1
InChIKeyLRFWVTZHEFYIOA-LBPRGKRZSA-N
MW310.33 g/mol
LogP2.90
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide (PubChem CID 39949661) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
PubChem CID39949661
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cncn1-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C17H15FN4O/c1-12(13-6-8-19-9-7-13)21-17(23)16-10-20-11-22(16)15-4-2-14(18)3-5-15/h2-12H,1H3,(H,21,23)/t12-/m0/s1
InChIKeyLRFWVTZHEFYIOA-LBPRGKRZSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 43026994
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192374
3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
CID 51080935
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
N-[1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 46081366
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92773011
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30480120
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide (CID 39949661) is 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide is C[C@H](NC(=O)c1cncn1-c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide?
The InChIKey is LRFWVTZHEFYIOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12(13-6-8-19-9-7-13)21-17(23)16-10-20-11-22(16)15-4-2-14(18)3-5-15/h2-12H,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 39949661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).