3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide

C17H21N5O2 — CID 91662672

IUPAC3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O
InChIInChI=1S/C17H21N5O2/c1-2-21-13-22(11-16(21)23)17(24)19-9-14-3-5-15(6-4-14)10-20-8-7-18-12-20/h3-8,12H,2,9-11,13H2,1H3,(H,19,24)
InChIKeyUIOBBAWZKMGQCN-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.26
Rot. Bonds5

About 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide

3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 91662672) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
PubChem CID91662672
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O
InChIInChI=1S/C17H21N5O2/c1-2-21-13-22(11-16(21)23)17(24)19-9-14-3-5-15(6-4-14)10-20-8-7-18-12-20/h3-8,12H,2,9-11,13H2,1H3,(H,19,24)
InChIKeyUIOBBAWZKMGQCN-UHFFFAOYSA-N
XLogP1.26
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide (CID 91662672) is 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide is CCN1CN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O.
What is the InChIKey of 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is UIOBBAWZKMGQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-21-13-22(11-16(21)23)17(24)19-9-14-3-5-15(6-4-14)10-20-8-7-18-12-20/h3-8,12H,2,9-11,13H2,1H3,(H,19,24).
What are the key properties of 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 91662672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).