2,5-dimethyl-4-propan-2-yl-1H-benzimidazole

C12H16N2 — CID 164840033

IUPAC2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
SMILESCc1nc2c(C(C)C)c(C)ccc2[nH]1
InChIInChI=1S/C12H16N2/c1-7(2)11-8(3)5-6-10-12(11)14-9(4)13-10/h5-7H,1-4H3,(H,13,14)
InChIKeyJLYFQJYXVFJESJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.30
Rot. Bonds1

About 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole

2,5-dimethyl-4-propan-2-yl-1H-benzimidazole (PubChem CID 164840033) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
PubChem CID164840033
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
SMILESCc1nc2c(C(C)C)c(C)ccc2[nH]1
InChIInChI=1S/C12H16N2/c1-7(2)11-8(3)5-6-10-12(11)14-9(4)13-10/h5-7H,1-4H3,(H,13,14)
InChIKeyJLYFQJYXVFJESJ-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole (CID 164840033) is 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole is Cc1nc2c(C(C)C)c(C)ccc2[nH]1.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole?
The InChIKey is JLYFQJYXVFJESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7(2)11-8(3)5-6-10-12(11)14-9(4)13-10/h5-7H,1-4H3,(H,13,14).
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole?
2,5-dimethyl-4-propan-2-yl-1H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 164840033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).