(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide

C18H22N4O3 — CID 97338296

IUPAC(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C18H22N4O3/c23-16(15-6-3-10-21(15)17(24)12-7-8-12)19-9-11-22-14-5-2-1-4-13(14)20-18(22)25/h1-2,4-5,12,15H,3,6-11H2,(H,19,23)(H,20,25)/t15-/m1/s1
InChIKeyJEMUUHVCNOMILR-OAHLLOKOSA-N
MW342.40 g/mol
LogP0.85
Rot. Bonds5

About (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 97338296) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID97338296
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C18H22N4O3/c23-16(15-6-3-10-21(15)17(24)12-7-8-12)19-9-11-22-14-5-2-1-4-13(14)20-18(22)25/h1-2,4-5,12,15H,3,6-11H2,(H,19,23)(H,20,25)/t15-/m1/s1
InChIKeyJEMUUHVCNOMILR-OAHLLOKOSA-N
XLogP0.85
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
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3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide (CID 97338296) is (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CCCN1C(=O)C1CC1.
What is the InChIKey of (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JEMUUHVCNOMILR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16(15-6-3-10-21(15)17(24)12-7-8-12)19-9-11-22-14-5-2-1-4-13(14)20-18(22)25/h1-2,4-5,12,15H,3,6-11H2,(H,19,23)(H,20,25)/t15-/m1/s1.
What are the key properties of (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97338296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).