ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde

C14H18N2O — CID 155737371

IUPACethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
SMILESCC.Cc1nccn1Cc1ccc(C=O)cc1
InChIInChI=1S/C12H12N2O.C2H6/c1-10-13-6-7-14(10)8-11-2-4-12(9-15)5-3-11;1-2/h2-7,9H,8H2,1H3;1-2H3
InChIKeyUZIKFQBOFYHMGX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.08
Rot. Bonds3

About ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde

ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde (PubChem CID 155737371) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde.

Molecular Properties

Compound Nameethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
PubChem CID155737371
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Nameethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
SMILESCC.Cc1nccn1Cc1ccc(C=O)cc1
InChIInChI=1S/C12H12N2O.C2H6/c1-10-13-6-7-14(10)8-11-2-4-12(9-15)5-3-11;1-2/h2-7,9H,8H2,1H3;1-2H3
InChIKeyUZIKFQBOFYHMGX-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 54974833
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-benzyl-2-methylimidazole
CID 158634472
N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 105348559
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969654
benzylidene-methoxy-[4-[(2-methylimidazol-1-yl)methyl]phenyl]azanium
CID 123455846
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
dubnium;ethane;methane;2-methyl-1-[(4-phenylphenyl)methyl]imidazole
CID 159505020
1-[(2-chloro-4-ethenylphenyl)methyl]-2-methylimidazole
CID 57323140
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde?
The IUPAC name of ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde (CID 155737371) is ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde.
What is the SMILES notation for ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde?
The canonical SMILES for ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde is CC.Cc1nccn1Cc1ccc(C=O)cc1.
What is the InChIKey of ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde?
The InChIKey is UZIKFQBOFYHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C2H6/c1-10-13-6-7-14(10)8-11-2-4-12(9-15)5-3-11;1-2/h2-7,9H,8H2,1H3;1-2H3.
What are the key properties of ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde?
ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde has a molecular weight of 230.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde is sourced from PubChem (CID 155737371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).