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

C12H15N5 — CID 175073604

IUPAC2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N5/c13-12(14)17-7-3-6-10(17)11-15-8-4-1-2-5-9(8)16-11/h1-2,4-5,10H,3,6-7H2,(H3,13,14)(H,15,16)
InChIKeySXCVRSFZWLLCND-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.59
Rot. Bonds1

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

2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide (PubChem CID 175073604) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
PubChem CID175073604
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N5/c13-12(14)17-7-3-6-10(17)11-15-8-4-1-2-5-9(8)16-11/h1-2,4-5,10H,3,6-7H2,(H3,13,14)(H,15,16)
InChIKeySXCVRSFZWLLCND-UHFFFAOYSA-N
XLogP1.59
TPSA81.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
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

2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175069852
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 51270082
(2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95247643
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 40921065
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94485231
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94485230
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99849761

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide (CID 175073604) is 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
The InChIKey is SXCVRSFZWLLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-12(14)17-7-3-6-10(17)11-15-8-4-1-2-5-9(8)16-11/h1-2,4-5,10H,3,6-7H2,(H3,13,14)(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide?
2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 175073604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).