6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole

C14H18ClN3 — CID 113316532

IUPAC6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
SMILESCCC1(c2nc3ccc(Cl)cc3n2C)CCNC1
InChIInChI=1S/C14H18ClN3/c1-3-14(6-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyGSIFLHFRWGIJMH-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.87
Rot. Bonds2

About 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole

6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole (PubChem CID 113316532) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
PubChem CID113316532
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
SMILESCCC1(c2nc3ccc(Cl)cc3n2C)CCNC1
InChIInChI=1S/C14H18ClN3/c1-3-14(6-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyGSIFLHFRWGIJMH-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403
5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
CID 63144239
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 115473331
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
CID 63134021
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192
6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole
CID 115472564
5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline
CID 115913056
1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
CID 63144236

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
The IUPAC name of 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole (CID 113316532) is 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole is CCC1(c2nc3ccc(Cl)cc3n2C)CCNC1.
What is the InChIKey of 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
The InChIKey is GSIFLHFRWGIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-14(6-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole has a molecular weight of 263.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole is sourced from PubChem (CID 113316532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).