4-methoxy-1-methylbenzimidazole-2-carbaldehyde

C10H10N2O2 — CID 82404130

IUPAC4-methoxy-1-methylbenzimidazole-2-carbaldehyde
SMILESCOc1cccc2c1nc(C=O)n2C
InChIInChI=1S/C10H10N2O2/c1-12-7-4-3-5-8(14-2)10(7)11-9(12)6-13/h3-6H,1-2H3
InChIKeyLXEDWTPPLZKOQB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.39
Rot. Bonds2

About 4-methoxy-1-methylbenzimidazole-2-carbaldehyde

4-methoxy-1-methylbenzimidazole-2-carbaldehyde (PubChem CID 82404130) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-methoxy-1-methylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-1-methylbenzimidazole-2-carbaldehyde
PubChem CID82404130
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-methoxy-1-methylbenzimidazole-2-carbaldehyde
SMILESCOc1cccc2c1nc(C=O)n2C
InChIInChI=1S/C10H10N2O2/c1-12-7-4-3-5-8(14-2)10(7)11-9(12)6-13/h3-6H,1-2H3
InChIKeyLXEDWTPPLZKOQB-UHFFFAOYSA-N
XLogP1.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983156
4-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326615
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]propanamide
CID 113393109
(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine
CID 115059572
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
5-methoxyisoquinoline-3-carbaldehyde
CID 91262659
2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
CID 141069508

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylbenzimidazole-2-carbaldehyde?
The IUPAC name of 4-methoxy-1-methylbenzimidazole-2-carbaldehyde (CID 82404130) is 4-methoxy-1-methylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-1-methylbenzimidazole-2-carbaldehyde?
The canonical SMILES for 4-methoxy-1-methylbenzimidazole-2-carbaldehyde is COc1cccc2c1nc(C=O)n2C.
What is the InChIKey of 4-methoxy-1-methylbenzimidazole-2-carbaldehyde?
The InChIKey is LXEDWTPPLZKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-7-4-3-5-8(14-2)10(7)11-9(12)6-13/h3-6H,1-2H3.
What are the key properties of 4-methoxy-1-methylbenzimidazole-2-carbaldehyde?
4-methoxy-1-methylbenzimidazole-2-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 82404130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).