benzaldehyde;1-benzylimidazole

C17H16N2O — CID 23446402

IUPACbenzaldehyde;1-benzylimidazole
SMILESO=Cc1ccccc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H10N2.C7H6O/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;8-6-7-4-2-1-3-5-7/h1-7,9H,8H2;1-6H
InChIKeyCRDNNERKBLJWDC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.43
Rot. Bonds3

About benzaldehyde;1-benzylimidazole

benzaldehyde;1-benzylimidazole (PubChem CID 23446402) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is benzaldehyde;1-benzylimidazole.

Molecular Properties

Compound Namebenzaldehyde;1-benzylimidazole
PubChem CID23446402
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Namebenzaldehyde;1-benzylimidazole
SMILESO=Cc1ccccc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H10N2.C7H6O/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;8-6-7-4-2-1-3-5-7/h1-7,9H,8H2;1-6H
InChIKeyCRDNNERKBLJWDC-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.43
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-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 123541179
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
4-(imidazol-1-ylmethyl)-N-(2-phenylethenyl)benzamide
CID 174355891
ethane;1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 144833537
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
CID 58482968
sodium;hydride;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 173012997
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;1-benzylimidazole?
The IUPAC name of benzaldehyde;1-benzylimidazole (CID 23446402) is benzaldehyde;1-benzylimidazole.
What is the SMILES notation for benzaldehyde;1-benzylimidazole?
The canonical SMILES for benzaldehyde;1-benzylimidazole is O=Cc1ccccc1.c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of benzaldehyde;1-benzylimidazole?
The InChIKey is CRDNNERKBLJWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C7H6O/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;8-6-7-4-2-1-3-5-7/h1-7,9H,8H2;1-6H.
What are the key properties of benzaldehyde;1-benzylimidazole?
benzaldehyde;1-benzylimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;1-benzylimidazole is sourced from PubChem (CID 23446402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).