N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide

C17H21FN4O — CID 91829882

IUPACN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NCC(c2ccccc2F)N2CCCC2)[nH]1
InChIInChI=1S/C17H21FN4O/c1-12-10-19-16(21-12)17(23)20-11-15(22-8-4-5-9-22)13-6-2-3-7-14(13)18/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyJUCYPHDTPPPVAS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91829882) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91829882
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NCC(c2ccccc2F)N2CCCC2)[nH]1
InChIInChI=1S/C17H21FN4O/c1-12-10-19-16(21-12)17(23)20-11-15(22-8-4-5-9-22)13-6-2-3-7-14(13)18/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyJUCYPHDTPPPVAS-UHFFFAOYSA-N
XLogP2.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
CID 131908439
2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 122570918
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide (CID 91829882) is N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)NCC(c2ccccc2F)N2CCCC2)[nH]1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is JUCYPHDTPPPVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-10-19-16(21-12)17(23)20-11-15(22-8-4-5-9-22)13-6-2-3-7-14(13)18/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91829882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).