1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide

C20H20N4O2 — CID 78798447

IUPAC1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N4O2/c1-13(25)24-12-6-11-18(24)20(26)23-15-8-3-2-7-14(15)19-21-16-9-4-5-10-17(16)22-19/h2-5,7-10,18H,6,11-12H2,1H3,(H,21,22)(H,23,26)
InChIKeyUBIQZLWWJTXARR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.18
Rot. Bonds3

About 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 78798447) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID78798447
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N4O2/c1-13(25)24-12-6-11-18(24)20(26)23-15-8-3-2-7-14(15)19-21-16-9-4-5-10-17(16)22-19/h2-5,7-10,18H,6,11-12H2,1H3,(H,21,22)(H,23,26)
InChIKeyUBIQZLWWJTXARR-UHFFFAOYSA-N
XLogP3.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40839279
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397880
1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
CID 78798763
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
1-acetyl-N-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 78799115
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25334740
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
CID 15949789
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331095
(2S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331098

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 78798447) is 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UBIQZLWWJTXARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(25)24-12-6-11-18(24)20(26)23-15-8-3-2-7-14(15)19-21-16-9-4-5-10-17(16)22-19/h2-5,7-10,18H,6,11-12H2,1H3,(H,21,22)(H,23,26).
What are the key properties of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78798447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).