3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde

C18H18N2O — CID 105408180

IUPAC3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde
SMILESCCn1c(Cc2cc(C=O)ccc2C)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-3-20-17-7-5-4-6-16(17)19-18(20)11-15-10-14(12-21)9-8-13(15)2/h4-10,12H,3,11H2,1-2H3
InChIKeyXNOZKJCWUAQIHY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.77
Rot. Bonds4

About 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde

3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde (PubChem CID 105408180) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde
PubChem CID105408180
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde
SMILESCCn1c(Cc2cc(C=O)ccc2C)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-3-20-17-7-5-4-6-16(17)19-18(20)11-15-10-14(12-21)9-8-13(15)2/h4-10,12H,3,11H2,1-2H3
InChIKeyXNOZKJCWUAQIHY-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.77
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-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886542
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde?
The IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde (CID 105408180) is 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde.
What is the SMILES notation for 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde?
The canonical SMILES for 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde is CCn1c(Cc2cc(C=O)ccc2C)nc2ccccc21.
What is the InChIKey of 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde?
The InChIKey is XNOZKJCWUAQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-20-17-7-5-4-6-16(17)19-18(20)11-15-10-14(12-21)9-8-13(15)2/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde?
3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde has a molecular weight of 278.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde is sourced from PubChem (CID 105408180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).