5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole

C15H20ClN3 — CID 83070865

IUPAC5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
SMILESCCn1c(C2(CC)CCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-3-15(8-5-9-17-15)14-18-12-10-11(16)6-7-13(12)19(14)4-2/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyCDGNIDIVYBYSNA-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole

5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole (PubChem CID 83070865) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
PubChem CID83070865
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
SMILESCCn1c(C2(CC)CCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-3-15(8-5-9-17-15)14-18-12-10-11(16)6-7-13(12)19(14)4-2/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyCDGNIDIVYBYSNA-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
CID 106977729
[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 113312218
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
CID 115292258
5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
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5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83058754
4-[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]oxyaniline
CID 118456212
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
CID 106742782
1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
CID 63144236
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
CID 64889974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
The IUPAC name of 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole (CID 83070865) is 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole.
What is the SMILES notation for 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
The canonical SMILES for 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole is CCn1c(C2(CC)CCCN2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
The InChIKey is CDGNIDIVYBYSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-15(8-5-9-17-15)14-18-12-10-11(16)6-7-13(12)19(14)4-2/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole is sourced from PubChem (CID 83070865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).