(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide

C28H26N4O3 — CID 15949789

IUPAC(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H26N4O3/c33-26(17-16-25-29-22-13-6-7-14-23(22)30-25)32-18-8-15-24(32)28(35)31-21-12-5-4-11-20(21)27(34)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,29,30)(H,31,35)/t24-/m0/s1
InChIKeyHFDBRUVTLNLQCC-DEOSSOPVSA-N
MW466.54 g/mol
LogP4.36
Rot. Bonds7

About (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide

(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide (PubChem CID 15949789) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
PubChem CID15949789
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H26N4O3/c33-26(17-16-25-29-22-13-6-7-14-23(22)30-25)32-18-8-15-24(32)28(35)31-21-12-5-4-11-20(21)27(34)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,29,30)(H,31,35)/t24-/m0/s1
InChIKeyHFDBRUVTLNLQCC-DEOSSOPVSA-N
XLogP4.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 15950215
N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 614237
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 167883500
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956598
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956601
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 138108901
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125018164
1-[(2S)-2-(1H-benzimidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52949672
(2S)-1-acetyl-4-[3-(1H-benzimidazol-2-yl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 125008235

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide (CID 15949789) is (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide is O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HFDBRUVTLNLQCC-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H26N4O3/c33-26(17-16-25-29-22-13-6-7-14-23(22)30-25)32-18-8-15-24(32)28(35)31-21-12-5-4-11-20(21)27(34)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,29,30)(H,31,35)/t24-/m0/s1.
What are the key properties of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 15949789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).