N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide

C21H22FN5O — CID 53164362

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1-c1ccnc(N2CCCC2)c1)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FN5O/c22-18-5-3-16(4-6-18)14-25-20(28)15-27-12-9-24-21(27)17-7-8-23-19(13-17)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11,14-15H2,(H,25,28)
InChIKeyGZFLUZJBHVDPRD-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.00
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide (PubChem CID 53164362) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
PubChem CID53164362
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1-c1ccnc(N2CCCC2)c1)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FN5O/c22-18-5-3-16(4-6-18)14-25-20(28)15-27-12-9-24-21(27)17-7-8-23-19(13-17)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11,14-15H2,(H,25,28)
InChIKeyGZFLUZJBHVDPRD-UHFFFAOYSA-N
XLogP3.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164364
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 53164389
N-cyclopentyl-2-[2-(2-thiomorpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164381
2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 124740922
2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide
CID 36758403
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-(3-fluorophenyl)-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]acetamide
CID 55791258
2-methyl-1-[(4-methylphenyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111245535
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide (CID 53164362) is N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide is O=C(Cn1ccnc1-c1ccnc(N2CCCC2)c1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The InChIKey is GZFLUZJBHVDPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-18-5-3-16(4-6-18)14-25-20(28)15-27-12-9-24-21(27)17-7-8-23-19(13-17)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11,14-15H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53164362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).