1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine

C12H15N5 — CID 12999121

IUPAC1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine
SMILES[H]/N=C(\N1CCCC1)n1c(N)nc2ccccc21
InChIInChI=1S/C12H15N5/c13-11-15-9-5-1-2-6-10(9)17(11)12(14)16-7-3-4-8-16/h1-2,5-6,14H,3-4,7-8H2,(H2,13,15)/b14-12+
InChIKeyHURUWJCSZUWHBS-WYMLVPIESA-N
MW229.29 g/mol
LogP1.50
Rot. Bonds

About 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine

1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine (PubChem CID 12999121) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine
PubChem CID12999121
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine
SMILES[H]/N=C(\N1CCCC1)n1c(N)nc2ccccc21
InChIInChI=1S/C12H15N5/c13-11-15-9-5-1-2-6-10(9)17(11)12(14)16-7-3-4-8-16/h1-2,5-6,14H,3-4,7-8H2,(H2,13,15)/b14-12+
InChIKeyHURUWJCSZUWHBS-WYMLVPIESA-N
XLogP1.50
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-aminobenzimidazole-1-carboxylic acid
CID 20537592
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
CID 112528013
1-(2-aminobenzimidazol-1-yl)hexa-2,4-dien-1-one
CID 54137227
4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522
1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
CID 126846264
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765
3-(2-aminobenzimidazol-1-yl)-4-ethylhex-3-enenitrile
CID 10491177
(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112528084

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine?
The IUPAC name of 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine (CID 12999121) is 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine?
The canonical SMILES for 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine is [H]/N=C(\N1CCCC1)n1c(N)nc2ccccc21.
What is the InChIKey of 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine?
The InChIKey is HURUWJCSZUWHBS-WYMLVPIESA-N. The full InChI is InChI=1S/C12H15N5/c13-11-15-9-5-1-2-6-10(9)17(11)12(14)16-7-3-4-8-16/h1-2,5-6,14H,3-4,7-8H2,(H2,13,15)/b14-12+.
What are the key properties of 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine?
1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine is sourced from PubChem (CID 12999121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).