5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde

C10H13N3O — CID 174550788

IUPAC5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde
SMILESCN1c2ccc(N)cc2N(C)C1C=O
InChIInChI=1S/C10H13N3O/c1-12-8-4-3-7(11)5-9(8)13(2)10(12)6-14/h3-6,10H,11H2,1-2H3
InChIKeyYLWASDBJRJMLGD-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.68
Rot. Bonds1

About 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde

5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde (PubChem CID 174550788) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde
PubChem CID174550788
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde
SMILESCN1c2ccc(N)cc2N(C)C1C=O
InChIInChI=1S/C10H13N3O/c1-12-8-4-3-7(11)5-9(8)13(2)10(12)6-14/h3-6,10H,11H2,1-2H3
InChIKeyYLWASDBJRJMLGD-UHFFFAOYSA-N
XLogP0.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-3-(3-methylazetidin-1-yl)aniline
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5-amino-8,14,14-trimethyl-13,15-dioxa-1,8,10-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-trien-9-one
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde?
The IUPAC name of 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde (CID 174550788) is 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde.
What is the SMILES notation for 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde?
The canonical SMILES for 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde is CN1c2ccc(N)cc2N(C)C1C=O.
What is the InChIKey of 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde?
The InChIKey is YLWASDBJRJMLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12-8-4-3-7(11)5-9(8)13(2)10(12)6-14/h3-6,10H,11H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde?
5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-2H-benzimidazole-2-carbaldehyde is sourced from PubChem (CID 174550788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).