1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole

C16H22N2 — CID 126704215

IUPAC1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole
SMILESCC(C)=C(C)c1nc2c(C(C)C)cccc2n1C
InChIInChI=1S/C16H22N2/c1-10(2)12(5)16-17-15-13(11(3)4)8-7-9-14(15)18(16)6/h7-9,11H,1-6H3
InChIKeyULEPOGMHCCIOSU-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.51
Rot. Bonds2

About 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole

1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole (PubChem CID 126704215) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole
PubChem CID126704215
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole
SMILESCC(C)=C(C)c1nc2c(C(C)C)cccc2n1C
InChIInChI=1S/C16H22N2/c1-10(2)12(5)16-17-15-13(11(3)4)8-7-9-14(15)18(16)6/h7-9,11H,1-6H3
InChIKeyULEPOGMHCCIOSU-UHFFFAOYSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Benzyl-1H-benzimidazole
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Stk857277
CID 950737
1-Benzyl-2-phenylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole?
The IUPAC name of 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole (CID 126704215) is 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole?
The canonical SMILES for 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole is CC(C)=C(C)c1nc2c(C(C)C)cccc2n1C.
What is the InChIKey of 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole?
The InChIKey is ULEPOGMHCCIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10(2)12(5)16-17-15-13(11(3)4)8-7-9-14(15)18(16)6/h7-9,11H,1-6H3.
What are the key properties of 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole?
1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole has a molecular weight of 242.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole is sourced from PubChem (CID 126704215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).