N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide

C22H22F3N5O — CID 126613528

IUPACN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ncc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C22H22F3N5O/c1-29-9-11-30(12-10-29)19-8-7-16(22(23,24)25)13-17(19)28-21(31)20-26-14-18(27-20)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,26,27)(H,28,31)
InChIKeyXHFFHDPLDWFOLQ-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.10
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide (PubChem CID 126613528) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide
PubChem CID126613528
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ncc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C22H22F3N5O/c1-29-9-11-30(12-10-29)19-8-7-16(22(23,24)25)13-17(19)28-21(31)20-26-14-18(27-20)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,26,27)(H,28,31)
InChIKeyXHFFHDPLDWFOLQ-UHFFFAOYSA-N
XLogP4.10
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide (CID 126613528) is N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide is CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ncc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
The InChIKey is XHFFHDPLDWFOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-29-9-11-30(12-10-29)19-8-7-16(22(23,24)25)13-17(19)28-21(31)20-26-14-18(27-20)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,26,27)(H,28,31).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 126613528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).