1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one

C21H26N4O3 — CID 54286570

IUPAC1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(C2CN(Cc3cnccc3N)C(=O)N2)cc1OC1CCCC1
InChIInChI=1S/C21H26N4O3/c1-27-19-7-6-14(10-20(19)28-16-4-2-3-5-16)18-13-25(21(26)24-18)12-15-11-23-9-8-17(15)22/h6-11,16,18H,2-5,12-13H2,1H3,(H2,22,23)(H,24,26)
InChIKeyRUNIUOLRHLITNL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.26
Rot. Bonds6

About 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one

1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one (PubChem CID 54286570) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
PubChem CID54286570
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(C2CN(Cc3cnccc3N)C(=O)N2)cc1OC1CCCC1
InChIInChI=1S/C21H26N4O3/c1-27-19-7-6-14(10-20(19)28-16-4-2-3-5-16)18-13-25(21(26)24-18)12-15-11-23-9-8-17(15)22/h6-11,16,18H,2-5,12-13H2,1H3,(H2,22,23)(H,24,26)
InChIKeyRUNIUOLRHLITNL-UHFFFAOYSA-N
XLogP3.26
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one with MolForge

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Related Compounds

(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54376016
2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 10111656
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one;dihydrate;hydrochloride
CID 19777304
(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10273482
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
5-cyclopentyloxyisoquinolin-8-amine
CID 43448847

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one (CID 54286570) is 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one is COc1ccc(C2CN(Cc3cnccc3N)C(=O)N2)cc1OC1CCCC1.
What is the InChIKey of 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is RUNIUOLRHLITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-19-7-6-14(10-20(19)28-16-4-2-3-5-16)18-13-25(21(26)24-18)12-15-11-23-9-8-17(15)22/h6-11,16,18H,2-5,12-13H2,1H3,(H2,22,23)(H,24,26).
What are the key properties of 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 54286570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).