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

C22H25N5O2 — CID 53164364

IUPACN-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccnc2-c2ccnc(N3CCCC3)c2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-19-6-4-17(5-7-19)15-25-21(28)16-27-13-10-24-22(27)18-8-9-23-20(14-18)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12,15-16H2,1H3,(H,25,28)
InChIKeySSUIOOHFKPMNLW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.87
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide (PubChem CID 53164364) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
PubChem CID53164364
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccnc2-c2ccnc(N3CCCC3)c2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-19-6-4-17(5-7-19)15-25-21(28)16-27-13-10-24-22(27)18-8-9-23-20(14-18)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12,15-16H2,1H3,(H,25,28)
InChIKeySSUIOOHFKPMNLW-UHFFFAOYSA-N
XLogP2.87
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164362
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 53164389
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111762016
N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164378
N-cyclopentyl-2-[2-(2-thiomorpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164381
1-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111181331
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111170079
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide (CID 53164364) is N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide is COc1ccc(CNC(=O)Cn2ccnc2-c2ccnc(N3CCCC3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The InChIKey is SSUIOOHFKPMNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-19-6-4-17(5-7-19)15-25-21(28)16-27-13-10-24-22(27)18-8-9-23-20(14-18)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12,15-16H2,1H3,(H,25,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53164364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).