2-methyl-6-propan-2-yl-1H-benzimidazole

C11H14N2 — CID 21069154

IUPAC2-methyl-6-propan-2-yl-1H-benzimidazole
SMILESCc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C11H14N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-7H,1-3H3,(H,12,13)
InChIKeyWBVWBHXCNQGIQO-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.99
Rot. Bonds1

About 2-methyl-6-propan-2-yl-1H-benzimidazole

2-methyl-6-propan-2-yl-1H-benzimidazole (PubChem CID 21069154) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-1H-benzimidazole
PubChem CID21069154
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methyl-6-propan-2-yl-1H-benzimidazole
SMILESCc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C11H14N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-7H,1-3H3,(H,12,13)
InChIKeyWBVWBHXCNQGIQO-UHFFFAOYSA-N
XLogP2.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
CID 162266881
CID 162266881
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
2-methyl-6-(1-phenylmethoxyethyl)-1H-benzimidazole
CID 59857344
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
CID 116909830
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-1H-benzimidazole?
The IUPAC name of 2-methyl-6-propan-2-yl-1H-benzimidazole (CID 21069154) is 2-methyl-6-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-propan-2-yl-1H-benzimidazole is Cc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 2-methyl-6-propan-2-yl-1H-benzimidazole?
The InChIKey is WBVWBHXCNQGIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-6-propan-2-yl-1H-benzimidazole?
2-methyl-6-propan-2-yl-1H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 21069154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).