2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

C18H23N3O3 — CID 94644268

IUPAC2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCc1nc2ccccc2n1CCOC(=O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H23N3O3/c1-12(2)21-11-14(10-17(21)22)18(23)24-9-8-20-13(3)19-15-6-4-5-7-16(15)20/h4-7,12,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyKVIUSXCQEVVMRO-CQSZACIVSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 94644268) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID94644268
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCc1nc2ccccc2n1CCOC(=O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H23N3O3/c1-12(2)21-11-14(10-17(21)22)18(23)24-9-8-20-13(3)19-15-6-4-5-7-16(15)20/h4-7,12,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyKVIUSXCQEVVMRO-CQSZACIVSA-N
XLogP2.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (CID 94644268) is 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is Cc1nc2ccccc2n1CCOC(=O)[C@@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is KVIUSXCQEVVMRO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)21-11-14(10-17(21)22)18(23)24-9-8-20-13(3)19-15-6-4-5-7-16(15)20/h4-7,12,14H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)ethyl (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 94644268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).