4-ethyl-1-methyl-6-propan-2-ylbenzimidazole

C13H18N2 — CID 129263193

IUPAC4-ethyl-1-methyl-6-propan-2-ylbenzimidazole
SMILESCCc1cc(C(C)C)cc2c1ncn2C
InChIInChI=1S/C13H18N2/c1-5-10-6-11(9(2)3)7-12-13(10)14-8-15(12)4/h6-9H,5H2,1-4H3
InChIKeyVRGVJKOOTPMEDX-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.26
Rot. Bonds2

About 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole

4-ethyl-1-methyl-6-propan-2-ylbenzimidazole (PubChem CID 129263193) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-6-propan-2-ylbenzimidazole
PubChem CID129263193
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-ethyl-1-methyl-6-propan-2-ylbenzimidazole
SMILESCCc1cc(C(C)C)cc2c1ncn2C
InChIInChI=1S/C13H18N2/c1-5-10-6-11(9(2)3)7-12-13(10)14-8-15(12)4/h6-9H,5H2,1-4H3
InChIKeyVRGVJKOOTPMEDX-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole?
The IUPAC name of 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole (CID 129263193) is 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole?
The canonical SMILES for 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole is CCc1cc(C(C)C)cc2c1ncn2C.
What is the InChIKey of 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole?
The InChIKey is VRGVJKOOTPMEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-10-6-11(9(2)3)7-12-13(10)14-8-15(12)4/h6-9H,5H2,1-4H3.
What are the key properties of 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole?
4-ethyl-1-methyl-6-propan-2-ylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-6-propan-2-ylbenzimidazole is sourced from PubChem (CID 129263193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).