(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid

C21H21N3O3 — CID 125134380

IUPAC(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-20(23-13-12-15(14-23)21(26)27)11-10-19-22-17-8-4-5-9-18(17)24(19)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,26,27)/t15-/m1/s1
InChIKeyBKVYZGQQLNKNHC-OAHLLOKOSA-N
MW363.42 g/mol
LogP2.89
Rot. Bonds5

About (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 125134380) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID125134380
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-20(23-13-12-15(14-23)21(26)27)11-10-19-22-17-8-4-5-9-18(17)24(19)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,26,27)/t15-/m1/s1
InChIKeyBKVYZGQQLNKNHC-OAHLLOKOSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382470
3-(1-phenylbenzimidazol-2-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 52896555
6-methyl-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114448
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119538394
1-(1,4-diazepan-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 119414087
1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 52894444
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 3904421
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 112836732
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119630899
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119434460
3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6622705
(3R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125149514

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 125134380) is (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1.
What is the InChIKey of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BKVYZGQQLNKNHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20(23-13-12-15(14-23)21(26)27)11-10-19-22-17-8-4-5-9-18(17)24(19)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,26,27)/t15-/m1/s1.
What are the key properties of (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125134380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).