6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole

C14H15ClF3N3 — CID 115472564

IUPAC6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole
SMILESCCn1c(C2(C(F)(F)F)CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H15ClF3N3/c1-2-21-11-7-9(15)3-4-10(11)20-12(21)13(14(16,17)18)5-6-19-8-13/h3-4,7,19H,2,5-6,8H2,1H3
InChIKeyWOWXZARBMGPAMV-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.50
Rot. Bonds2

About 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole

6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole (PubChem CID 115472564) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole
PubChem CID115472564
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole
SMILESCCn1c(C2(C(F)(F)F)CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H15ClF3N3/c1-2-21-11-7-9(15)3-4-10(11)20-12(21)13(14(16,17)18)5-6-19-8-13/h3-4,7,19H,2,5-6,8H2,1H3
InChIKeyWOWXZARBMGPAMV-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 115473331
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
CID 63144236
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770
5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
CID 63144239
6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 115472704
5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83070865
3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 63756759

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole?
The IUPAC name of 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole (CID 115472564) is 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole.
What is the SMILES notation for 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole?
The canonical SMILES for 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole is CCn1c(C2(C(F)(F)F)CCNC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole?
The InChIKey is WOWXZARBMGPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-2-21-11-7-9(15)3-4-10(11)20-12(21)13(14(16,17)18)5-6-19-8-13/h3-4,7,19H,2,5-6,8H2,1H3.
What are the key properties of 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole?
6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole has a molecular weight of 317.74 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole is sourced from PubChem (CID 115472564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).