5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide

C16H20N4O2 — CID 110794754

IUPAC5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cnc2cc(CNC(=O)C3CCC(=O)N3)ccc21
InChIInChI=1S/C16H20N4O2/c1-10(2)20-9-18-13-7-11(3-5-14(13)20)8-17-16(22)12-4-6-15(21)19-12/h3,5,7,9-10,12H,4,6,8H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyRPHIUPWJSAEXQF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.51
Rot. Bonds4

About 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide

5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110794754) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID110794754
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cnc2cc(CNC(=O)C3CCC(=O)N3)ccc21
InChIInChI=1S/C16H20N4O2/c1-10(2)20-9-18-13-7-11(3-5-14(13)20)8-17-16(22)12-4-6-15(21)19-12/h3,5,7,9-10,12H,4,6,8H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyRPHIUPWJSAEXQF-UHFFFAOYSA-N
XLogP1.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110796152
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794636
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 110794754) is 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide is CC(C)n1cnc2cc(CNC(=O)C3CCC(=O)N3)ccc21.
What is the InChIKey of 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RPHIUPWJSAEXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)20-9-18-13-7-11(3-5-14(13)20)8-17-16(22)12-4-6-15(21)19-12/h3,5,7,9-10,12H,4,6,8H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110794754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).