6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde

C18H19N3O2 — CID 102300716

IUPAC6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde
SMILESCCCCn1c(-c2cccc(C=O)n2)nc2ccc(OC)cc21
InChIInChI=1S/C18H19N3O2/c1-3-4-10-21-17-11-14(23-2)8-9-15(17)20-18(21)16-7-5-6-13(12-22)19-16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyPXBRIAPVCZLKBL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.72
Rot. Bonds6

About 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde

6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde (PubChem CID 102300716) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde
PubChem CID102300716
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde
SMILESCCCCn1c(-c2cccc(C=O)n2)nc2ccc(OC)cc21
InChIInChI=1S/C18H19N3O2/c1-3-4-10-21-17-11-14(23-2)8-9-15(17)20-18(21)16-7-5-6-13(12-22)19-16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyPXBRIAPVCZLKBL-UHFFFAOYSA-N
XLogP3.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-octylbenzimidazol-2-yl)pyridine-2-carbaldehyde
CID 102300717
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134083798
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
CID 102420307
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
CID 142985780

Frequently Asked Questions

What is the IUPAC name of 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde (CID 102300716) is 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde is CCCCn1c(-c2cccc(C=O)n2)nc2ccc(OC)cc21.
What is the InChIKey of 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde?
The InChIKey is PXBRIAPVCZLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-4-10-21-17-11-14(23-2)8-9-15(17)20-18(21)16-7-5-6-13(12-22)19-16/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde?
6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde has a molecular weight of 309.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 102300716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).