N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide

C18H23N3O — CID 50847605

IUPACN-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide
SMILESCCc1nc(C)cn1-c1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C18H23N3O/c1-3-17-20-13(2)12-21(17)16-9-7-14(8-10-16)11-19-18(22)15-5-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyLDGGZUVCBHFGHZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide

N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide (PubChem CID 50847605) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide
PubChem CID50847605
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide
SMILESCCc1nc(C)cn1-c1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C18H23N3O/c1-3-17-20-13(2)12-21(17)16-9-7-14(8-10-16)11-19-18(22)15-5-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyLDGGZUVCBHFGHZ-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 50847638
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
N-benzylcyclobutanecarboxamide
CID 730128
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
CID 110730554
1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
1-ethylsulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50945213
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
N-benzylcyclopentanecarboxamide
CID 835634
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide (CID 50847605) is N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide is CCc1nc(C)cn1-c1ccc(CNC(=O)C2CCC2)cc1.
What is the InChIKey of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide?
The InChIKey is LDGGZUVCBHFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-17-20-13(2)12-21(17)16-9-7-14(8-10-16)11-19-18(22)15-5-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide?
N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 50847605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).