2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde

C11H13N3O — CID 116954228

IUPAC2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
SMILESCNC(C=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O/c1-12-10(6-15)8-3-4-11-9(5-8)13-7-14(11)2/h3-7,10,12H,1-2H3
InChIKeyRZQGOWLNYFXFCK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.03
Rot. Bonds3

About 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde

2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde (PubChem CID 116954228) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
PubChem CID116954228
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
SMILESCNC(C=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O/c1-12-10(6-15)8-3-4-11-9(5-8)13-7-14(11)2/h3-7,10,12H,1-2H3
InChIKeyRZQGOWLNYFXFCK-UHFFFAOYSA-N
XLogP1.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
CID 116949485
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
CID 116959619

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde?
The IUPAC name of 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde (CID 116954228) is 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde is CNC(C=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde?
The InChIKey is RZQGOWLNYFXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-12-10(6-15)8-3-4-11-9(5-8)13-7-14(11)2/h3-7,10,12H,1-2H3.
What are the key properties of 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde?
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde has a molecular weight of 203.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde is sourced from PubChem (CID 116954228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).