6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

C16H22ClN3 — CID 106983266

IUPAC6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCCn1c(C2(C(C)C)CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H22ClN3/c1-4-20-14-9-12(17)5-6-13(14)19-15(20)16(11(2)3)7-8-18-10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyYGLCSWWVRUEAQC-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.60
Rot. Bonds3

About 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (PubChem CID 106983266) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
PubChem CID106983266
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCCn1c(C2(C(C)C)CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H22ClN3/c1-4-20-14-9-12(17)5-6-13(14)19-15(20)16(11(2)3)7-8-18-10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyYGLCSWWVRUEAQC-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.60
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-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (CID 106983266) is 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is CCn1c(C2(C(C)C)CCNC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The InChIKey is YGLCSWWVRUEAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-20-14-9-12(17)5-6-13(14)19-15(20)16(11(2)3)7-8-18-10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3.
What are the key properties of 6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole has a molecular weight of 291.83 g/mol, XLogP of 3.60, 3 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-propan-2-ylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 106983266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).