2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde

C10H8N2O2 — CID 83530521

IUPAC2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
SMILESCn1cnc2cc(C(=O)C=O)ccc21
InChIInChI=1S/C10H8N2O2/c1-12-6-11-8-4-7(10(14)5-13)2-3-9(8)12/h2-6H,1H3
InChIKeyHACWKTMDXDXSBY-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.95
Rot. Bonds2

About 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde

2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde (PubChem CID 83530521) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
PubChem CID83530521
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
SMILESCn1cnc2cc(C(=O)C=O)ccc21
InChIInChI=1S/C10H8N2O2/c1-12-6-11-8-4-7(10(14)5-13)2-3-9(8)12/h2-6H,1H3
InChIKeyHACWKTMDXDXSBY-UHFFFAOYSA-N
XLogP0.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
1-(1-methylbenzimidazole-5-carbonyl)cyclobutane-1-carbonitrile
CID 116921557
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
CID 116916623
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
CID 116923440
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde (CID 83530521) is 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde is Cn1cnc2cc(C(=O)C=O)ccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde?
The InChIKey is HACWKTMDXDXSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-12-6-11-8-4-7(10(14)5-13)2-3-9(8)12/h2-6H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde?
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 83530521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).