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

C17H23N5O2 — CID 71993660

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)c3cnc[nH]3)cc2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-6-8-22(9-7-21)10-11-24-15-4-2-14(3-5-15)20-17(23)16-12-18-13-19-16/h2-5,12-13H,6-11H2,1H3,(H,18,19)(H,20,23)
InChIKeyDYYLUWROBRDLHJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.29
Rot. Bonds6

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

N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide (PubChem CID 71993660) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide
PubChem CID71993660
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)c3cnc[nH]3)cc2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-6-8-22(9-7-21)10-11-24-15-4-2-14(3-5-15)20-17(23)16-12-18-13-19-16/h2-5,12-13H,6-11H2,1H3,(H,18,19)(H,20,23)
InChIKeyDYYLUWROBRDLHJ-UHFFFAOYSA-N
XLogP1.29
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide (CID 71993660) is N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide is CN1CCN(CCOc2ccc(NC(=O)c3cnc[nH]3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is DYYLUWROBRDLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-6-8-22(9-7-21)10-11-24-15-4-2-14(3-5-15)20-17(23)16-12-18-13-19-16/h2-5,12-13H,6-11H2,1H3,(H,18,19)(H,20,23).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide?
N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 71993660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).