4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one

C18H23IN6O — CID 175461685

IUPAC4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one
SMILESCCc1nc(-c2nnn(C)c2CN2CC(CC3CC3)NC2=O)ccc1I
InChIInChI=1S/C18H23IN6O/c1-3-14-13(19)6-7-15(21-14)17-16(24(2)23-22-17)10-25-9-12(20-18(25)26)8-11-4-5-11/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,26)
InChIKeyYXJXQPOWHDGLNT-UHFFFAOYSA-N
MW466.33 g/mol
LogP2.74
Rot. Bonds6

About 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one

4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one (PubChem CID 175461685) has the molecular formula C18H23IN6O and a molecular weight of 466.33 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one
PubChem CID175461685
Molecular FormulaC18H23IN6O
Molecular Weight466.33 g/mol
Exact Mass466.10
IUPAC Name4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one
SMILESCCc1nc(-c2nnn(C)c2CN2CC(CC3CC3)NC2=O)ccc1I
InChIInChI=1S/C18H23IN6O/c1-3-14-13(19)6-7-15(21-14)17-16(24(2)23-22-17)10-25-9-12(20-18(25)26)8-11-4-5-11/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,26)
InChIKeyYXJXQPOWHDGLNT-UHFFFAOYSA-N
XLogP2.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one (CID 175461685) is 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one is CCc1nc(-c2nnn(C)c2CN2CC(CC3CC3)NC2=O)ccc1I.
What is the InChIKey of 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one?
The InChIKey is YXJXQPOWHDGLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN6O/c1-3-14-13(19)6-7-15(21-14)17-16(24(2)23-22-17)10-25-9-12(20-18(25)26)8-11-4-5-11/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,26).
What are the key properties of 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one?
4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one has a molecular weight of 466.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-[[5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazol-4-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 175461685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).