4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide

C15H12IN5O — CID 122301151

IUPAC4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nccn1-c1ncc(NC(=O)c2ccc(I)cc2)cn1
InChIInChI=1S/C15H12IN5O/c1-10-17-6-7-21(10)15-18-8-13(9-19-15)20-14(22)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,20,22)
InChIKeyDIUHDHGNGOZVSW-UHFFFAOYSA-N
MW405.20 g/mol
LogP2.83
Rot. Bonds3

About 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide

4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122301151) has the molecular formula C15H12IN5O and a molecular weight of 405.20 g/mol. Its IUPAC name is 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122301151
Molecular FormulaC15H12IN5O
Molecular Weight405.20 g/mol
Exact Mass405.01
IUPAC Name4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nccn1-c1ncc(NC(=O)c2ccc(I)cc2)cn1
InChIInChI=1S/C15H12IN5O/c1-10-17-6-7-21(10)15-18-8-13(9-19-15)20-14(22)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,20,22)
InChIKeyDIUHDHGNGOZVSW-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 122301120
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122301114
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 71789920
1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 121112797
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(6-amino-3-pyridinyl)-4-iodobenzamide
CID 55132398

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide (CID 122301151) is 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide is Cc1nccn1-c1ncc(NC(=O)c2ccc(I)cc2)cn1.
What is the InChIKey of 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is DIUHDHGNGOZVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN5O/c1-10-17-6-7-21(10)15-18-8-13(9-19-15)20-14(22)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,20,22).
What are the key properties of 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 405.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122301151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).