N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide

C15H17IN4O — CID 118268500

IUPACN-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide
SMILESC[C@H](c1ccc(I)cc1)n1cncc1C(=O)NN1CCC1
InChIInChI=1S/C15H17IN4O/c1-11(12-3-5-13(16)6-4-12)20-10-17-9-14(20)15(21)18-19-7-2-8-19/h3-6,9-11H,2,7-8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyOSLPHMATCKFCBK-LLVKDONJSA-N
MW396.23 g/mol
LogP2.45
Rot. Bonds4

About N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide

N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide (PubChem CID 118268500) has the molecular formula C15H17IN4O and a molecular weight of 396.23 g/mol. Its IUPAC name is N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide
PubChem CID118268500
Molecular FormulaC15H17IN4O
Molecular Weight396.23 g/mol
Exact Mass396.04
IUPAC NameN-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide
SMILESC[C@H](c1ccc(I)cc1)n1cncc1C(=O)NN1CCC1
InChIInChI=1S/C15H17IN4O/c1-11(12-3-5-13(16)6-4-12)20-10-17-9-14(20)15(21)18-19-7-2-8-19/h3-6,9-11H,2,7-8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyOSLPHMATCKFCBK-LLVKDONJSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide (CID 118268500) is N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide is C[C@H](c1ccc(I)cc1)n1cncc1C(=O)NN1CCC1.
What is the InChIKey of N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is OSLPHMATCKFCBK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17IN4O/c1-11(12-3-5-13(16)6-4-12)20-10-17-9-14(20)15(21)18-19-7-2-8-19/h3-6,9-11H,2,7-8H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide?
N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 396.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-yl)-3-[(1R)-1-(4-iodophenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 118268500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).