3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide

C17H19ClN6O2 — CID 138043446

IUPAC3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C17H19ClN6O2/c18-12-9-20-24(10-12)13-5-7-22(11-13)16(25)19-6-8-23-15-4-2-1-3-14(15)21-17(23)26/h1-4,9-10,13H,5-8,11H2,(H,19,25)(H,21,26)
InChIKeyLFOZRGOFEWLGPS-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.84
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide

3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 138043446) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID138043446
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C17H19ClN6O2/c18-12-9-20-24(10-12)13-5-7-22(11-13)16(25)19-6-8-23-15-4-2-1-3-14(15)21-17(23)26/h1-4,9-10,13H,5-8,11H2,(H,19,25)(H,21,26)
InChIKeyLFOZRGOFEWLGPS-UHFFFAOYSA-N
XLogP1.84
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 138043446) is 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1c(=O)[nH]c2ccccc21)N1CCC(n2cc(Cl)cn2)C1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is LFOZRGOFEWLGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c18-12-9-20-24(10-12)13-5-7-22(11-13)16(25)19-6-8-23-15-4-2-1-3-14(15)21-17(23)26/h1-4,9-10,13H,5-8,11H2,(H,19,25)(H,21,26).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138043446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).