5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C15H18N4O3 — CID 46904181

IUPAC5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)NC[C@H](C)O)c1
InChIInChI=1S/C15H18N4O3/c1-9-4-3-5-11(6-9)19-15(22)13-12(17-8-18-13)14(21)16-7-10(2)20/h3-6,8,10,20H,7H2,1-2H3,(H,16,21)(H,17,18)(H,19,22)/t10-/m0/s1
InChIKeyJCXPSPOPBHHPGA-JTQLQIEISA-N
MW302.33 g/mol
LogP1.08
Rot. Bonds5

About 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46904181) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46904181
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)NC[C@H](C)O)c1
InChIInChI=1S/C15H18N4O3/c1-9-4-3-5-11(6-9)19-15(22)13-12(17-8-18-13)14(21)16-7-10(2)20/h3-6,8,10,20H,7H2,1-2H3,(H,16,21)(H,17,18)(H,19,22)/t10-/m0/s1
InChIKeyJCXPSPOPBHHPGA-JTQLQIEISA-N
XLogP1.08
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 46904181) is 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1cccc(NC(=O)c2nc[nH]c2C(=O)NC[C@H](C)O)c1.
What is the InChIKey of 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is JCXPSPOPBHHPGA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-4-3-5-11(6-9)19-15(22)13-12(17-8-18-13)14(21)16-7-10(2)20/h3-6,8,10,20H,7H2,1-2H3,(H,16,21)(H,17,18)(H,19,22)/t10-/m0/s1.
What are the key properties of 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S)-2-hydroxypropyl]-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46904181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).