N,2-dimethyl-3H-benzimidazole-5-carbohydrazide

C10H12N4O — CID 116845661

IUPACN,2-dimethyl-3H-benzimidazole-5-carbohydrazide
SMILESCc1nc2ccc(C(=O)N(C)N)cc2[nH]1
InChIInChI=1S/C10H12N4O/c1-6-12-8-4-3-7(5-9(8)13-6)10(15)14(2)11/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyOLQYMVMCHVULFI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.82
Rot. Bonds1

About N,2-dimethyl-3H-benzimidazole-5-carbohydrazide

N,2-dimethyl-3H-benzimidazole-5-carbohydrazide (PubChem CID 116845661) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N,2-dimethyl-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN,2-dimethyl-3H-benzimidazole-5-carbohydrazide
PubChem CID116845661
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN,2-dimethyl-3H-benzimidazole-5-carbohydrazide
SMILESCc1nc2ccc(C(=O)N(C)N)cc2[nH]1
InChIInChI=1S/C10H12N4O/c1-6-12-8-4-3-7(5-9(8)13-6)10(15)14(2)11/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyOLQYMVMCHVULFI-UHFFFAOYSA-N
XLogP0.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
3-amino-3-methyl-1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 116915767
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 56753280

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of N,2-dimethyl-3H-benzimidazole-5-carbohydrazide (CID 116845661) is N,2-dimethyl-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for N,2-dimethyl-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for N,2-dimethyl-3H-benzimidazole-5-carbohydrazide is Cc1nc2ccc(C(=O)N(C)N)cc2[nH]1.
What is the InChIKey of N,2-dimethyl-3H-benzimidazole-5-carbohydrazide?
The InChIKey is OLQYMVMCHVULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-12-8-4-3-7(5-9(8)13-6)10(15)14(2)11/h3-5H,11H2,1-2H3,(H,12,13).
What are the key properties of N,2-dimethyl-3H-benzimidazole-5-carbohydrazide?
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide has a molecular weight of 204.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 116845661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).