2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid

C15H17N3O2 — CID 84641631

IUPAC2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
SMILESCc1c(C(=O)O)n2c3ccc(C(C)C)cc3nc2n1C
InChIInChI=1S/C15H17N3O2/c1-8(2)10-5-6-12-11(7-10)16-15-17(4)9(3)13(14(19)20)18(12)15/h5-8H,1-4H3,(H,19,20)
InChIKeyODHWRXAFAKSSBX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.96
Rot. Bonds2

About 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid

2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid (PubChem CID 84641631) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
PubChem CID84641631
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
SMILESCc1c(C(=O)O)n2c3ccc(C(C)C)cc3nc2n1C
InChIInChI=1S/C15H17N3O2/c1-8(2)10-5-6-12-11(7-10)16-15-17(4)9(3)13(14(19)20)18(12)15/h5-8H,1-4H3,(H,19,20)
InChIKeyODHWRXAFAKSSBX-UHFFFAOYSA-N
XLogP2.96
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84646569
1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645026
1-bromo-3-methylimidazo[1,2-a]benzimidazole-2,6-dicarboxylic acid
CID 84646646
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630360
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
N-methyl-1-(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84636129
1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
CID 82494938
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
The IUPAC name of 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid (CID 84641631) is 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid is Cc1c(C(=O)O)n2c3ccc(C(C)C)cc3nc2n1C.
What is the InChIKey of 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
The InChIKey is ODHWRXAFAKSSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8(2)10-5-6-12-11(7-10)16-15-17(4)9(3)13(14(19)20)18(12)15/h5-8H,1-4H3,(H,19,20).
What are the key properties of 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid is sourced from PubChem (CID 84641631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).