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

C28H28N4O3 — CID 15949516

IUPAC(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H28N4O3/c1-35-25-15-7-3-10-20(25)19-9-2-4-11-21(19)31-28(34)24-14-8-18-32(24)27(33)17-16-26-29-22-12-5-6-13-23(22)30-26/h2-7,9-13,15,24H,8,14,16-18H2,1H3,(H,29,30)(H,31,34)/t24-/m0/s1
InChIKeySNDVIPNTBBQYTB-DEOSSOPVSA-N
MW468.56 g/mol
LogP4.80
Rot. Bonds7

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

(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 15949516) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID15949516
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H28N4O3/c1-35-25-15-7-3-10-20(25)19-9-2-4-11-21(19)31-28(34)24-14-8-18-32(24)27(33)17-16-26-29-22-12-5-6-13-23(22)30-26/h2-7,9-13,15,24H,8,14,16-18H2,1H3,(H,29,30)(H,31,34)/t24-/m0/s1
InChIKeySNDVIPNTBBQYTB-DEOSSOPVSA-N
XLogP4.80
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide (CID 15949516) is (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide is COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is SNDVIPNTBBQYTB-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-35-25-15-7-3-10-20(25)19-9-2-4-11-21(19)31-28(34)24-14-8-18-32(24)27(33)17-16-26-29-22-12-5-6-13-23(22)30-26/h2-7,9-13,15,24H,8,14,16-18H2,1H3,(H,29,30)(H,31,34)/t24-/m0/s1.
What are the key properties of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.80, 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-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15949516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).