5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole

C13H16IN3 — CID 69079010

IUPAC5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
SMILESIc1ccc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C13H16IN3/c14-11-3-4-13-12(9-11)15-10-17(13)8-7-16-5-1-2-6-16/h3-4,9-10H,1-2,5-8H2
InChIKeyMFCFRZOAVLFTQY-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.74
Rot. Bonds3

About 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole

5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole (PubChem CID 69079010) has the molecular formula C13H16IN3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
PubChem CID69079010
Molecular FormulaC13H16IN3
Molecular Weight341.20 g/mol
Exact Mass341.04
IUPAC Name5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
SMILESIc1ccc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C13H16IN3/c14-11-3-4-13-12(9-11)15-10-17(13)8-7-16-5-1-2-6-16/h3-4,9-10H,1-2,5-8H2
InChIKeyMFCFRZOAVLFTQY-UHFFFAOYSA-N
XLogP2.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The IUPAC name of 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole (CID 69079010) is 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole.
What is the SMILES notation for 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The canonical SMILES for 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole is Ic1ccc2c(c1)ncn2CCN1CCCC1.
What is the InChIKey of 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
The InChIKey is MFCFRZOAVLFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3/c14-11-3-4-13-12(9-11)15-10-17(13)8-7-16-5-1-2-6-16/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole?
5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole has a molecular weight of 341.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole is sourced from PubChem (CID 69079010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).