3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile

C15H15N5O — CID 10493076

IUPAC3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile
SMILESCc1[nH]cnc1CN1CCN(c2cccc(C#N)c2)C1=O
InChIInChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)
InChIKeyMHYJUPBRZFJREB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.03
Rot. Bonds3

About 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile

3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile (PubChem CID 10493076) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile
PubChem CID10493076
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile
SMILESCc1[nH]cnc1CN1CCN(c2cccc(C#N)c2)C1=O
InChIInChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)
InChIKeyMHYJUPBRZFJREB-UHFFFAOYSA-N
XLogP2.03
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
1,3-diethyl-5-(4-phenyl-1H-imidazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581397
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
CID 10728865
4-(2-(4-Methylphenylamino)ethyl)-1H-imidazole
CID 46222043
N-cyano-N'-[3-(1H-imidazol-5-yl)phenyl]methanimidamide
CID 20449748
(3R)-3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-N,N-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 10501927
N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 13178306
1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
CID 24956883
1-(3,5-Dimethyl-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-benzyl]-urea
CID 44383756
1,3-diethyl-5-(1H-imidazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647065

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The IUPAC name of 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile (CID 10493076) is 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile is Cc1[nH]cnc1CN1CCN(c2cccc(C#N)c2)C1=O.
What is the InChIKey of 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The InChIKey is MHYJUPBRZFJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile?
3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile has a molecular weight of 281.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 10493076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).