N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide

C25H23N5O2 — CID 10180756

IUPACN-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide
SMILESO=C(Cc1cccc2cnccc12)Nc1cn(C2CC(NC(=O)c3ccccc3)C2)cn1
InChIInChI=1S/C25H23N5O2/c31-24(11-18-7-4-8-19-14-26-10-9-22(18)19)29-23-15-30(16-27-23)21-12-20(13-21)28-25(32)17-5-2-1-3-6-17/h1-10,14-16,20-21H,11-13H2,(H,28,32)(H,29,31)
InChIKeyUQBJRKMIHFSTMS-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.75
Rot. Bonds6

About N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide

N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide (PubChem CID 10180756) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide
PubChem CID10180756
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide
SMILESO=C(Cc1cccc2cnccc12)Nc1cn(C2CC(NC(=O)c3ccccc3)C2)cn1
InChIInChI=1S/C25H23N5O2/c31-24(11-18-7-4-8-19-14-26-10-9-22(18)19)29-23-15-30(16-27-23)21-12-20(13-21)28-25(32)17-5-2-1-3-6-17/h1-10,14-16,20-21H,11-13H2,(H,28,32)(H,29,31)
InChIKeyUQBJRKMIHFSTMS-UHFFFAOYSA-N
XLogP3.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
CID 10274048
2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 11335291
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
2-isoquinolin-5-ylacetamide
CID 68785768
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide
CID 10298819
2-isoquinolin-5-yl-N-[5-[4-[5-[(2-isoquinolin-5-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 91896713

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide?
The IUPAC name of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide (CID 10180756) is N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide.
What is the SMILES notation for N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide?
The canonical SMILES for N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide is O=C(Cc1cccc2cnccc12)Nc1cn(C2CC(NC(=O)c3ccccc3)C2)cn1.
What is the InChIKey of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide?
The InChIKey is UQBJRKMIHFSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24(11-18-7-4-8-19-14-26-10-9-22(18)19)29-23-15-30(16-27-23)21-12-20(13-21)28-25(32)17-5-2-1-3-6-17/h1-10,14-16,20-21H,11-13H2,(H,28,32)(H,29,31).
What are the key properties of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide?
N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide is sourced from PubChem (CID 10180756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).