1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

C16H23N3 — CID 63144192

IUPAC1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cc(C)ccc3n2C)CCNC1
InChIInChI=1S/C16H23N3/c1-4-7-16(8-9-17-11-16)15-18-13-10-12(2)5-6-14(13)19(15)3/h5-6,10,17H,4,7-9,11H2,1-3H3
InChIKeyPPEJWSIRKZNCFL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds3

About 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 63144192) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID63144192
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cc(C)ccc3n2C)CCNC1
InChIInChI=1S/C16H23N3/c1-4-7-16(8-9-17-11-16)15-18-13-10-12(2)5-6-14(13)19(15)3/h5-6,10,17H,4,7-9,11H2,1-3H3
InChIKeyPPEJWSIRKZNCFL-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 63144192) is 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCC1(c2nc3cc(C)ccc3n2C)CCNC1.
What is the InChIKey of 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is PPEJWSIRKZNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-7-16(8-9-17-11-16)15-18-13-10-12(2)5-6-14(13)19(15)3/h5-6,10,17H,4,7-9,11H2,1-3H3.
What are the key properties of 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63144192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).