2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole

C17H25N3 — CID 63144404

IUPAC2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
SMILESCCC1(c2nc3cc(C)ccc3n2C(C)C)CCNC1
InChIInChI=1S/C17H25N3/c1-5-17(8-9-18-11-17)16-19-14-10-13(4)6-7-15(14)20(16)12(2)3/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyYXTQSVOJVRHQNY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole

2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole (PubChem CID 63144404) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
PubChem CID63144404
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
SMILESCCC1(c2nc3cc(C)ccc3n2C(C)C)CCNC1
InChIInChI=1S/C17H25N3/c1-5-17(8-9-18-11-17)16-19-14-10-13(4)6-7-15(14)20(16)12(2)3/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyYXTQSVOJVRHQNY-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
CID 63133850
1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
CID 63144236
5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144666
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
CID 63144452
4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290676
5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
CID 63144239
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
CID 63134021
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144368

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole (CID 63144404) is 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole is CCC1(c2nc3cc(C)ccc3n2C(C)C)CCNC1.
What is the InChIKey of 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is YXTQSVOJVRHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-17(8-9-18-11-17)16-19-14-10-13(4)6-7-15(14)20(16)12(2)3/h6-7,10,12,18H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 63144404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).