2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde

C10H11N3O — CID 116954226

IUPAC2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H11N3O/c1-11-10(5-14)7-2-3-8-9(4-7)13-6-12-8/h2-6,10-11H,1H3,(H,12,13)
InChIKeyFMXMHTZJEDJMSE-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.02
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde

2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde (PubChem CID 116954226) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
PubChem CID116954226
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H11N3O/c1-11-10(5-14)7-2-3-8-9(4-7)13-6-12-8/h2-6,10-11H,1H3,(H,12,13)
InChIKeyFMXMHTZJEDJMSE-UHFFFAOYSA-N
XLogP1.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
CID 116952117
CID 157410638
CID 157410638
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
6-pentan-3-yl-1H-benzimidazole
CID 134401277
1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958693
1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831645
2-[3H-benzimidazol-5-yl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953841
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde (CID 116954226) is 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde is CNC(C=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde?
The InChIKey is FMXMHTZJEDJMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-10(5-14)7-2-3-8-9(4-7)13-6-12-8/h2-6,10-11H,1H3,(H,12,13).
What are the key properties of 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde?
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde has a molecular weight of 189.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde is sourced from PubChem (CID 116954226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).