2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide

C15H13N5O — CID 110467649

IUPAC2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-c3cncnc3)c2)[nH]1
InChIInChI=1S/C15H13N5O/c1-10-18-8-14(19-10)15(21)20-13-4-2-3-11(5-13)12-6-16-9-17-7-12/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyVORKSXFMTQMNQZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.43
Rot. Bonds3

About 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide

2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 110467649) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
PubChem CID110467649
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-c3cncnc3)c2)[nH]1
InChIInChI=1S/C15H13N5O/c1-10-18-8-14(19-10)15(21)20-13-4-2-3-11(5-13)12-6-16-9-17-7-12/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyVORKSXFMTQMNQZ-UHFFFAOYSA-N
XLogP2.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
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ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene
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3-oxo-N-(3-pyrimidin-5-ylphenyl)butanamide
CID 110460628
1-methyl-N-(3-pyrimidin-5-ylphenyl)triazole-4-carboxamide
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N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650
N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467519
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 44530727
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide
CID 139628196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide (CID 110467649) is 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(-c3cncnc3)c2)[nH]1.
What is the InChIKey of 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is VORKSXFMTQMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-18-8-14(19-10)15(21)20-13-4-2-3-11(5-13)12-6-16-9-17-7-12/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide?
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).