4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde

C16H14N2O2 — CID 22391301

IUPAC4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc2c(c1)ncn2C
InChIInChI=1S/C16H14N2O2/c1-18-10-17-14-8-12(4-5-15(14)18)13-7-11(9-19)3-6-16(13)20-2/h3-10H,1-2H3
InChIKeyYXQZTYAMWGGXEK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.06
Rot. Bonds3

About 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde

4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde (PubChem CID 22391301) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
PubChem CID22391301
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc2c(c1)ncn2C
InChIInChI=1S/C16H14N2O2/c1-18-10-17-14-8-12(4-5-15(14)18)13-7-11(9-19)3-6-16(13)20-2/h3-10H,1-2H3
InChIKeyYXQZTYAMWGGXEK-UHFFFAOYSA-N
XLogP3.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde (CID 22391301) is 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde is COc1ccc(C=O)cc1-c1ccc2c(c1)ncn2C.
What is the InChIKey of 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde?
The InChIKey is YXQZTYAMWGGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-10-17-14-8-12(4-5-15(14)18)13-7-11(9-19)3-6-16(13)20-2/h3-10H,1-2H3.
What are the key properties of 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde?
4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde has a molecular weight of 266.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde is sourced from PubChem (CID 22391301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).