6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole

C14H20N2 — CID 156802411

IUPAC6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole
SMILESCCc1cc(C)c2nc(C)n(C(C)C)c2c1
InChIInChI=1S/C14H20N2/c1-6-12-7-10(4)14-13(8-12)16(9(2)3)11(5)15-14/h7-9H,6H2,1-5H3
InChIKeyHBLSJLKNGORPCK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.80
Rot. Bonds2

About 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole

6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole (PubChem CID 156802411) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole
PubChem CID156802411
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole
SMILESCCc1cc(C)c2nc(C)n(C(C)C)c2c1
InChIInChI=1S/C14H20N2/c1-6-12-7-10(4)14-13(8-12)16(9(2)3)11(5)15-14/h7-9H,6H2,1-5H3
InChIKeyHBLSJLKNGORPCK-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole (CID 156802411) is 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole is CCc1cc(C)c2nc(C)n(C(C)C)c2c1.
What is the InChIKey of 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole?
The InChIKey is HBLSJLKNGORPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-12-7-10(4)14-13(8-12)16(9(2)3)11(5)15-14/h7-9H,6H2,1-5H3.
What are the key properties of 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole?
6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-dimethyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 156802411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).