ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one

C25H29N7O2 — CID 143898795

IUPACethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one
SMILESCCO.CN1CCN(c2ccc(-c3cc(-c4nc5cc6c(cc5[nH]4)CNC6)n(C)n3)cc2)C1=O
InChIInChI=1S/C23H23N7O.C2H6O/c1-28-7-8-30(23(28)31)17-5-3-14(4-6-17)18-11-21(29(2)27-18)22-25-19-9-15-12-24-13-16(15)10-20(19)26-22;1-2-3/h3-6,9-11,24H,7-8,12-13H2,1-2H3,(H,25,26);3H,2H2,1H3
InChIKeyDALKOICCQPKKMT-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.10
Rot. Bonds3

About ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one

ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one (PubChem CID 143898795) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Nameethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one
PubChem CID143898795
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Nameethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one
SMILESCCO.CN1CCN(c2ccc(-c3cc(-c4nc5cc6c(cc5[nH]4)CNC6)n(C)n3)cc2)C1=O
InChIInChI=1S/C23H23N7O.C2H6O/c1-28-7-8-30(23(28)31)17-5-3-14(4-6-17)18-11-21(29(2)27-18)22-25-19-9-15-12-24-13-16(15)10-20(19)26-22;1-2-3/h3-6,9-11,24H,7-8,12-13H2,1-2H3,(H,25,26);3H,2H2,1H3
InChIKeyDALKOICCQPKKMT-UHFFFAOYSA-N
XLogP3.10
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one with MolForge

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 645440
1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea
CID 71655465
1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 44601555
US10343992, Example 83
CID 122590702
US10343992, Example 88
CID 122590774
N-[bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 260983
2-(3-methyl-4-{[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl}-1H-pyrazol-1-yl)ethanol
CID 56713024
US11352339, Example 78
CID 130454599
5-Methyl-2-(3-methyl-1-phenyl-5-(pyrrolidin-1-yl)-1h-pyrazol-4-yl)-1h-benzo-[d]imidazole
CID 156580003
6-methyl-2-[2-(1H-pyrazol-1-ylmethyl)phenyl]-1H-benzimidazole
CID 46987188
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]propanamide
CID 91843675
1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]-2-phenylethanamine;2,2,2-trifluoroacetic acid
CID 117074496

Frequently Asked Questions

What is the IUPAC name of ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one (CID 143898795) is ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one is CCO.CN1CCN(c2ccc(-c3cc(-c4nc5cc6c(cc5[nH]4)CNC6)n(C)n3)cc2)C1=O.
What is the InChIKey of ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is DALKOICCQPKKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O.C2H6O/c1-28-7-8-30(23(28)31)17-5-3-14(4-6-17)18-11-21(29(2)27-18)22-25-19-9-15-12-24-13-16(15)10-20(19)26-22;1-2-3/h3-6,9-11,24H,7-8,12-13H2,1-2H3,(H,25,26);3H,2H2,1H3.
What are the key properties of ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one?
ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 459.55 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-methyl-3-[4-[1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 143898795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).