1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one

C13H16N4O — CID 80579836

IUPAC1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCc1cc(Cn2ccn(C3CC3)c2=O)ccn1
InChIInChI=1S/C13H16N4O/c14-8-11-7-10(3-4-15-11)9-16-5-6-17(13(16)18)12-1-2-12/h3-7,12H,1-2,8-9,14H2
InChIKeyFPUHOYRENZDPKF-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.89
Rot. Bonds4

About 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one

1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one (PubChem CID 80579836) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
PubChem CID80579836
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCc1cc(Cn2ccn(C3CC3)c2=O)ccn1
InChIInChI=1S/C13H16N4O/c14-8-11-7-10(3-4-15-11)9-16-5-6-17(13(16)18)12-1-2-12/h3-7,12H,1-2,8-9,14H2
InChIKeyFPUHOYRENZDPKF-UHFFFAOYSA-N
XLogP0.89
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one
CID 116625498
1-cyclopropyl-3-(furan-3-ylmethyl)imidazol-2-one
CID 116625512
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579488
1-cyclopropyl-3-[(4-iodophenyl)methyl]imidazol-2-one
CID 80581973
1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one
CID 103438572
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579713
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 107113924
2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352296
3-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]pyridine-2-carbothioamide
CID 80581187
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-cyclopropylimidazol-2-one
CID 80581451
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one (CID 80579836) is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one is NCc1cc(Cn2ccn(C3CC3)c2=O)ccn1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
The InChIKey is FPUHOYRENZDPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-11-7-10(3-4-15-11)9-16-5-6-17(13(16)18)12-1-2-12/h3-7,12H,1-2,8-9,14H2.
What are the key properties of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).