3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide

C9H10N4O — CID 83877407

IUPAC3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C9H10N4O/c1-13-7-5(8(10)11)3-2-4-6(7)12-9(13)14/h2-4H,1H3,(H3,10,11)(H,12,14)
InChIKeyPIUNILQLJZZBFU-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.15
Rot. Bonds1

About 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide

3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide (PubChem CID 83877407) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide.

Molecular Properties

Compound Name3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide
PubChem CID83877407
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C9H10N4O/c1-13-7-5(8(10)11)3-2-4-6(7)12-9(13)14/h2-4H,1H3,(H3,10,11)(H,12,14)
InChIKeyPIUNILQLJZZBFU-UHFFFAOYSA-N
XLogP0.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-3-methyl-1H-benzimidazol-2-one
CID 84618376
biphenylene-1,8-dicarboximidamide
CID 71696896
2-[5-(4-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole-4-carboximidamide
CID 57107568
ethyl 3-methyl-2-sulfanylidene-1H-benzimidazole-4-carboxylate
CID 83417548
2-oxo-1-pentylpyridine-3-carboximidamide
CID 82526707
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106277630
tert-butyl (1R,5S)-3-(3-methyl-2-oxo-1H-benzimidazol-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 155449656
4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518694
4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 174331722
3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 113467250
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide?
The IUPAC name of 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide (CID 83877407) is 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide.
What is the SMILES notation for 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide?
The canonical SMILES for 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide is [H]/N=C(\N)c1cccc2[nH]c(=O)n(C)c12.
What is the InChIKey of 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide?
The InChIKey is PIUNILQLJZZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-7-5(8(10)11)3-2-4-6(7)12-9(13)14/h2-4H,1H3,(H3,10,11)(H,12,14).
What are the key properties of 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide?
3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide has a molecular weight of 190.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide is sourced from PubChem (CID 83877407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).