1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole

C15H21N3 — CID 63030439

IUPAC1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
SMILESCC(C)(C)n1c(C2CCNC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-15(2,3)18-13-7-5-4-6-12(13)17-14(18)11-8-9-16-10-11/h4-7,11,16H,8-10H2,1-3H3
InChIKeyUNXAAGOLXWAQQF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.87
Rot. Bonds1

About 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole

1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole (PubChem CID 63030439) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
PubChem CID63030439
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
SMILESCC(C)(C)n1c(C2CCNC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-15(2,3)18-13-7-5-4-6-12(13)17-14(18)11-8-9-16-10-11/h4-7,11,16H,8-10H2,1-3H3
InChIKeyUNXAAGOLXWAQQF-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole?
The IUPAC name of 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole (CID 63030439) is 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole.
What is the SMILES notation for 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole?
The canonical SMILES for 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole is CC(C)(C)n1c(C2CCNC2)nc2ccccc21.
What is the InChIKey of 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole?
The InChIKey is UNXAAGOLXWAQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)18-13-7-5-4-6-12(13)17-14(18)11-8-9-16-10-11/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole?
1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole is sourced from PubChem (CID 63030439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).