N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide

C22H23N5O2 — CID 16746563

IUPACN-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-7-9-17(10-8-16)25-21(28)19-20(24-15-23-19)22(29)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,24)(H,25,28)
InChIKeyVGAQYJZNYDDVIZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.93
Rot. Bonds4

About N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 16746563) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID16746563
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-7-9-17(10-8-16)25-21(28)19-20(24-15-23-19)22(29)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,24)(H,25,28)
InChIKeyVGAQYJZNYDDVIZ-UHFFFAOYSA-N
XLogP2.93
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 16746563) is N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is VGAQYJZNYDDVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-7-9-17(10-8-16)25-21(28)19-20(24-15-23-19)22(29)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,23,24)(H,25,28).
What are the key properties of N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 16746563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).