7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

C15H15N5O — CID 135525654

IUPAC7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)n[nH]1
InChIInChI=1S/C15H15N5O/c1-7-4-12(20-19-7)13-16-10-5-8-9(6-11(10)17-13)18-14(21)15(8,2)3/h4-6H,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyDRKOUHSEDVEHEG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds1

About 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135525654) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135525654
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)n[nH]1
InChIInChI=1S/C15H15N5O/c1-7-4-12(20-19-7)13-16-10-5-8-9(6-11(10)17-13)18-14(21)15(8,2)3/h4-6H,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyDRKOUHSEDVEHEG-UHFFFAOYSA-N
XLogP2.49
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Adibendan
CID 65867
Meribendan
CID 65934
5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H,7H-imidazo[4,5-f]indol-6-one
CID 135502940
N-(3-(1H-benzo[d]imidazol-2-yl)-1H-indazol-5-yl)-4,4-difluorocyclohexanecarboxamide
CID 136232542
N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415036
6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415144
6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415180
N-(3-(1H-benzo[d]imidazol-2-yl)-1H-indazol-5-yl)cyclopropane carboxamide
CID 136232543
N-(3-(1H-benzo[d]imidazol-2-yl)-1H-indazol-5-yl)-3-fluorobenzamide
CID 136232548
3-(1H-benzimidazol-2-yl)-1H-indazole-6-carboxamide
CID 135839322
N-butyl-N-(2-cyanoethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 136027065
5,7-Dihydro-7,7-dimethyl-2-(2-pyridinyl)pyrrolo[2,3-f]benzimidazol-6(3H)-one
CID 13589242

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 135525654) is 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is Cc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)n[nH]1.
What is the InChIKey of 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is DRKOUHSEDVEHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-7-4-12(20-19-7)13-16-10-5-8-9(6-11(10)17-13)18-14(21)15(8,2)3/h4-6H,1-3H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 281.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135525654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).