2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide

C13H17N5O — CID 175069852

IUPAC2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C13H17N5O/c1-19-8-4-5-9-10(7-8)17-12(16-9)11-3-2-6-18(11)13(14)15/h4-5,7,11H,2-3,6H2,1H3,(H3,14,15)(H,16,17)
InChIKeyXTSQAHCUSVPSOV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds2

About 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide

2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide (PubChem CID 175069852) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
PubChem CID175069852
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C13H17N5O/c1-19-8-4-5-9-10(7-8)17-12(16-9)11-3-2-6-18(11)13(14)15/h4-5,7,11H,2-3,6H2,1H3,(H3,14,15)(H,16,17)
InChIKeyXTSQAHCUSVPSOV-UHFFFAOYSA-N
XLogP1.60
TPSA91.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
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'}

Analyze 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175073604
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 118127697
[2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 118127361
[2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(3-methylphenyl)phenyl]methanone
CID 118128109
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
[4-(3,4-dimethylphenyl)-2-methylpyrimidin-5-yl]-[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 118128107
3-(3,5-dimethoxyphenyl)-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 48997627
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
tert-butyl (2S)-2-(6-prop-2-enyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 170985706
tert-butyl (2S)-2-(6-methoxy-1H-benzimidazol-2-yl)-4-methylidenepyrrolidine-1-carboxylate
CID 118128350
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70850795

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide (CID 175069852) is 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1c1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The InChIKey is XTSQAHCUSVPSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-8-4-5-9-10(7-8)17-12(16-9)11-3-2-6-18(11)13(14)15/h4-5,7,11H,2-3,6H2,1H3,(H3,14,15)(H,16,17).
What are the key properties of 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 175069852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).