N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide

C16H20N6O2 — CID 42526690

IUPACN-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C16H20N6O2/c23-15(17-7-10-21-11-8-18-16(21)24)14-12-22(20-19-14)9-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,23)(H,18,24)
InChIKeyPROKIBARHAMUOV-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.28
Rot. Bonds7

About N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide

N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 42526690) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide
PubChem CID42526690
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C16H20N6O2/c23-15(17-7-10-21-11-8-18-16(21)24)14-12-22(20-19-14)9-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,23)(H,18,24)
InChIKeyPROKIBARHAMUOV-UHFFFAOYSA-N
XLogP0.28
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90649233
N-[2-(azepan-1-yl)-2-phenylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 45186039
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 42151013
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 118795910
1-(2-benzylpyrazol-3-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72888153
3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
CID 45241729
1-(2-phenylethyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]triazole-4-carboxamide
CID 25281033
1-(2,2-diethoxyethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 47089082
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 26402089

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide (CID 42526690) is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide is O=C(NCCN1CCNC1=O)c1cn(CCc2ccccc2)nn1.
What is the InChIKey of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is PROKIBARHAMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(17-7-10-21-11-8-18-16(21)24)14-12-22(20-19-14)9-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,23)(H,18,24).
What are the key properties of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide?
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 42526690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).