N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C25H28ClN5O — CID 70232610

IUPACN-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.N#Cc1ccccc1Cc1ncc(CCN(C(=O)Cc2ccccc2)C2CCNC2)[nH]1
InChIInChI=1S/C25H27N5O.ClH/c26-16-21-9-5-4-8-20(21)15-24-28-17-22(29-24)11-13-30(23-10-12-27-18-23)25(31)14-19-6-2-1-3-7-19;/h1-9,17,23,27H,10-15,18H2,(H,28,29);1H
InChIKeyGHZPWVCHVSJCFY-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.27
Rot. Bonds8

About N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 70232610) has the molecular formula C25H28ClN5O and a molecular weight of 449.99 g/mol. Its IUPAC name is N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID70232610
Molecular FormulaC25H28ClN5O
Molecular Weight449.99 g/mol
Exact Mass449.20
IUPAC NameN-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.N#Cc1ccccc1Cc1ncc(CCN(C(=O)Cc2ccccc2)C2CCNC2)[nH]1
InChIInChI=1S/C25H27N5O.ClH/c26-16-21-9-5-4-8-20(21)15-24-28-17-22(29-24)11-13-30(23-10-12-27-18-23)25(31)14-19-6-2-1-3-7-19;/h1-9,17,23,27H,10-15,18H2,(H,28,29);1H
InChIKeyGHZPWVCHVSJCFY-UHFFFAOYSA-N
XLogP3.27
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 70232610) is N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is Cl.N#Cc1ccccc1Cc1ncc(CCN(C(=O)Cc2ccccc2)C2CCNC2)[nH]1.
What is the InChIKey of N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is GHZPWVCHVSJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.ClH/c26-16-21-9-5-4-8-20(21)15-24-28-17-22(29-24)11-13-30(23-10-12-27-18-23)25(31)14-19-6-2-1-3-7-19;/h1-9,17,23,27H,10-15,18H2,(H,28,29);1H.
What are the key properties of N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 449.99 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 70232610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).