N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide

C13H17N5 — CID 140778587

IUPACN'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
SMILESCc1ccc2nc(/N=C(/N)N3CCCC3)[nH]c2c1
InChIInChI=1S/C13H17N5/c1-9-4-5-10-11(8-9)16-13(15-10)17-12(14)18-6-2-3-7-18/h4-5,8H,2-3,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyDETROGYFWUOCOT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds1

About N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide

N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide (PubChem CID 140778587) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
PubChem CID140778587
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
SMILESCc1ccc2nc(/N=C(/N)N3CCCC3)[nH]c2c1
InChIInChI=1S/C13H17N5/c1-9-4-5-10-11(8-9)16-13(15-10)17-12(14)18-6-2-3-7-18/h4-5,8H,2-3,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyDETROGYFWUOCOT-UHFFFAOYSA-N
XLogP1.91
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135954388
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
N'-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboximidamide
CID 53215438
4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119145902
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
(6-methyl-1H-benzimidazol-2-yl)thiourea
CID 6917301
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735731
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705

Frequently Asked Questions

What is the IUPAC name of N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide (CID 140778587) is N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide is Cc1ccc2nc(/N=C(/N)N3CCCC3)[nH]c2c1.
What is the InChIKey of N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The InChIKey is DETROGYFWUOCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-4-5-10-11(8-9)16-13(15-10)17-12(14)18-6-2-3-7-18/h4-5,8H,2-3,6-7H2,1H3,(H3,14,15,16,17).
What are the key properties of N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 140778587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).