N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide

C19H21N7O3 — CID 118061569

IUPACN-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide
SMILESCn1cc(NC(=O)c2cccc(-n3ccnc3)c2)c(N2CCN(CCO)C2=O)n1
InChIInChI=1S/C19H21N7O3/c1-23-12-16(17(22-23)26-8-7-24(9-10-27)19(26)29)21-18(28)14-3-2-4-15(11-14)25-6-5-20-13-25/h2-6,11-13,27H,7-10H2,1H3,(H,21,28)
InChIKeyGVEPOOZBRCECAE-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.09
Rot. Bonds6

About N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide

N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide (PubChem CID 118061569) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide
PubChem CID118061569
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC NameN-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide
SMILESCn1cc(NC(=O)c2cccc(-n3ccnc3)c2)c(N2CCN(CCO)C2=O)n1
InChIInChI=1S/C19H21N7O3/c1-23-12-16(17(22-23)26-8-7-24(9-10-27)19(26)29)21-18(28)14-3-2-4-15(11-14)25-6-5-20-13-25/h2-6,11-13,27H,7-10H2,1H3,(H,21,28)
InChIKeyGVEPOOZBRCECAE-UHFFFAOYSA-N
XLogP1.09
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide
CID 118061537
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide
CID 99540046
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 164591408
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 154837809
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide?
The IUPAC name of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide (CID 118061569) is N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide is Cn1cc(NC(=O)c2cccc(-n3ccnc3)c2)c(N2CCN(CCO)C2=O)n1.
What is the InChIKey of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide?
The InChIKey is GVEPOOZBRCECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-23-12-16(17(22-23)26-8-7-24(9-10-27)19(26)29)21-18(28)14-3-2-4-15(11-14)25-6-5-20-13-25/h2-6,11-13,27H,7-10H2,1H3,(H,21,28).
What are the key properties of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide?
N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide has a molecular weight of 395.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 118061569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).