N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide

C12H16N4O — CID 116847491

IUPACN',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
SMILESCc1nc2ccc(CC(=O)NN(C)C)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-8-13-10-5-4-9(6-11(10)14-8)7-12(17)15-16(2)3/h4-6H,7H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyPGJAAKKBJWFMIV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.01
Rot. Bonds3

About N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide

N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide (PubChem CID 116847491) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
PubChem CID116847491
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
SMILESCc1nc2ccc(CC(=O)NN(C)C)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-8-13-10-5-4-9(6-11(10)14-8)7-12(17)15-16(2)3/h4-6H,7H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyPGJAAKKBJWFMIV-UHFFFAOYSA-N
XLogP1.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131929944
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide?
The IUPAC name of N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide (CID 116847491) is N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide?
The canonical SMILES for N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide is Cc1nc2ccc(CC(=O)NN(C)C)cc2[nH]1.
What is the InChIKey of N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide?
The InChIKey is PGJAAKKBJWFMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-13-10-5-4-9(6-11(10)14-8)7-12(17)15-16(2)3/h4-6H,7H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide?
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide has a molecular weight of 232.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide is sourced from PubChem (CID 116847491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).