1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride

C20H26ClN5O2 — CID 174718999

IUPAC1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
SMILESCl.N#CC1CCCN1C(=O)CNCCn1ccn(CCc2ccccc2)c1=O
InChIInChI=1S/C20H25N5O2.ClH/c21-15-18-7-4-10-25(18)19(26)16-22-9-12-24-14-13-23(20(24)27)11-8-17-5-2-1-3-6-17;/h1-3,5-6,13-14,18,22H,4,7-12,16H2;1H
InChIKeySYVDZFBWSCOHOQ-UHFFFAOYSA-N
MW403.91 g/mol
LogP1.42
Rot. Bonds8

About 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride

1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride (PubChem CID 174718999) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
PubChem CID174718999
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
SMILESCl.N#CC1CCCN1C(=O)CNCCn1ccn(CCc2ccccc2)c1=O
InChIInChI=1S/C20H25N5O2.ClH/c21-15-18-7-4-10-25(18)19(26)16-22-9-12-24-14-13-23(20(24)27)11-8-17-5-2-1-3-6-17;/h1-3,5-6,13-14,18,22H,4,7-12,16H2;1H
InChIKeySYVDZFBWSCOHOQ-UHFFFAOYSA-N
XLogP1.42
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride 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

(2S)-1-[2-[2-(4-chloroindol-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66763237
(2S)-1-[2-[2-[3-[2-(2-fluorophenyl)ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;oxalic acid
CID 44607037
(2S)-1-[2-[2-[3-[2-(2-fluorophenyl)ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 44606354
(2S)-1-[2-[3-(2-phenyl-1H-imidazol-5-yl)propylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66763331
N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
CID 66763203
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 142063765
oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 56670496
(2S)-1-[2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66762942
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
CID 68684792
1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride?
The IUPAC name of 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride (CID 174718999) is 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride?
The canonical SMILES for 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride is Cl.N#CC1CCCN1C(=O)CNCCn1ccn(CCc2ccccc2)c1=O.
What is the InChIKey of 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride?
The InChIKey is SYVDZFBWSCOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.ClH/c21-15-18-7-4-10-25(18)19(26)16-22-9-12-24-14-13-23(20(24)27)11-8-17-5-2-1-3-6-17;/h1-3,5-6,13-14,18,22H,4,7-12,16H2;1H.
What are the key properties of 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride?
1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 174718999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).