3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide

C18H25N5O2 — CID 167899177

IUPAC3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide
SMILESCC(NC(=O)c1cn(C)c(=O)[nH]1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-13(19-17(24)16-12-22(3)18(25)20-16)14-4-6-15(7-5-14)23-10-8-21(2)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyCAKIUQAPIPEPOT-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.96
Rot. Bonds4

About 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide

3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide (PubChem CID 167899177) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide
PubChem CID167899177
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide
SMILESCC(NC(=O)c1cn(C)c(=O)[nH]1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-13(19-17(24)16-12-22(3)18(25)20-16)14-4-6-15(7-5-14)23-10-8-21(2)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyCAKIUQAPIPEPOT-UHFFFAOYSA-N
XLogP0.96
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 139507620
1-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 75462150
1-(2,6-difluorophenyl)-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]urea
CID 71886613
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116022
1-[(2R,3R)-2-methyloxolan-3-yl]-3-[(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]urea
CID 97249594
2-methyl-1-oxo-N-[1-(4-piperidin-1-ylphenyl)ethyl]isoquinoline-4-carboxamide
CID 46977353
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108511024
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide (CID 167899177) is 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide is CC(NC(=O)c1cn(C)c(=O)[nH]1)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide?
The InChIKey is CAKIUQAPIPEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(19-17(24)16-12-22(3)18(25)20-16)14-4-6-15(7-5-14)23-10-8-21(2)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide?
3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167899177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).