3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide

C20H21FN4O2 — CID 17477971

IUPAC3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c21-15-5-7-16(8-6-15)25-14-22-12-18(25)20(26)23-13-17(19-4-3-11-27-19)24-9-1-2-10-24/h3-8,11-12,14,17H,1-2,9-10,13H2,(H,23,26)
InChIKeyZLSWIVIYNBYFJK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.17
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide (PubChem CID 17477971) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
PubChem CID17477971
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c21-15-5-7-16(8-6-15)25-14-22-12-18(25)20(26)23-13-17(19-4-3-11-27-19)24-9-1-2-10-24/h3-8,11-12,14,17H,1-2,9-10,13H2,(H,23,26)
InChIKeyZLSWIVIYNBYFJK-UHFFFAOYSA-N
XLogP3.17
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 42887024
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 51895452
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 41079127
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 110302511
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2449889
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide (CID 17477971) is 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
The InChIKey is ZLSWIVIYNBYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-15-5-7-16(8-6-15)25-14-22-12-18(25)20(26)23-13-17(19-4-3-11-27-19)24-9-1-2-10-24/h3-8,11-12,14,17H,1-2,9-10,13H2,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 17477971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).