2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine

C13H16N4 — CID 63641014

IUPAC2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1nc2ccccc2[nH]1)N1CCCC1
InChIInChI=1S/C13H16N4/c14-12(17-7-3-4-8-17)9-13-15-10-5-1-2-6-11(10)16-13/h1-2,5-6,14H,3-4,7-9H2,(H,15,16)/b14-12-
InChIKeyIRZKRSMTJQCXTM-OWBHPGMISA-N
MW228.30 g/mol
LogP2.18
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine

2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine (PubChem CID 63641014) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine
PubChem CID63641014
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1nc2ccccc2[nH]1)N1CCCC1
InChIInChI=1S/C13H16N4/c14-12(17-7-3-4-8-17)9-13-15-10-5-1-2-6-11(10)16-13/h1-2,5-6,14H,3-4,7-9H2,(H,15,16)/b14-12-
InChIKeyIRZKRSMTJQCXTM-OWBHPGMISA-N
XLogP2.18
TPSA55.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.18
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

3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
CID 111033753
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111033752
2-(1H-benzimidazol-2-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]ethanone
CID 126439280
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
1-[2-(1H-benzimidazol-2-yl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 77085622
CID 58296357
CID 58296357
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine (CID 63641014) is 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine is [H]/N=C(/Cc1nc2ccccc2[nH]1)N1CCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine?
The InChIKey is IRZKRSMTJQCXTM-OWBHPGMISA-N. The full InChI is InChI=1S/C13H16N4/c14-12(17-7-3-4-8-17)9-13-15-10-5-1-2-6-11(10)16-13/h1-2,5-6,14H,3-4,7-9H2,(H,15,16)/b14-12-.
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine?
2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine has a molecular weight of 228.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 63641014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).