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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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).