N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide

C14H15FN4O — CID 81257908

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)n1ccnc1
InChIInChI=1S/C14H15FN4O/c15-12-9-11(17-14(20)19-8-5-16-10-19)3-4-13(12)18-6-1-2-7-18/h3-5,8-10H,1-2,6-7H2,(H,17,20)
InChIKeyQIOIQRBMDUFGFK-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.70
Rot. Bonds2

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide (PubChem CID 81257908) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide
PubChem CID81257908
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)n1ccnc1
InChIInChI=1S/C14H15FN4O/c15-12-9-11(17-14(20)19-8-5-16-10-19)3-4-13(12)18-6-1-2-7-18/h3-5,8-10H,1-2,6-7H2,(H,17,20)
InChIKeyQIOIQRBMDUFGFK-UHFFFAOYSA-N
XLogP2.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
CID 81257159
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443142

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide (CID 81257908) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide is O=C(Nc1ccc(N2CCCC2)c(F)c1)n1ccnc1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide?
The InChIKey is QIOIQRBMDUFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-12-9-11(17-14(20)19-8-5-16-10-19)3-4-13(12)18-6-1-2-7-18/h3-5,8-10H,1-2,6-7H2,(H,17,20).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).