1,3-diethylbenzene;1,5-dimethylbenzimidazole

C19H24N2 — CID 143832422

IUPAC1,3-diethylbenzene;1,5-dimethylbenzimidazole
SMILESCCc1cccc(CC)c1.Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C10H14.C9H10N2/c1-3-9-6-5-7-10(4-2)8-9;1-7-3-4-9-8(5-7)10-6-11(9)2/h5-8H,3-4H2,1-2H3;3-6H,1-2H3
InChIKeyXQUYMXKNOJBCSA-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.69
Rot. Bonds2

About 1,3-diethylbenzene;1,5-dimethylbenzimidazole

1,3-diethylbenzene;1,5-dimethylbenzimidazole (PubChem CID 143832422) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1,3-diethylbenzene;1,5-dimethylbenzimidazole.

Molecular Properties

Compound Name1,3-diethylbenzene;1,5-dimethylbenzimidazole
PubChem CID143832422
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1,3-diethylbenzene;1,5-dimethylbenzimidazole
SMILESCCc1cccc(CC)c1.Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C10H14.C9H10N2/c1-3-9-6-5-7-10(4-2)8-9;1-7-3-4-9-8(5-7)10-6-11(9)2/h5-8H,3-4H2,1-2H3;3-6H,1-2H3
InChIKeyXQUYMXKNOJBCSA-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylbenzene;1,5-dimethylbenzimidazole?
The IUPAC name of 1,3-diethylbenzene;1,5-dimethylbenzimidazole (CID 143832422) is 1,3-diethylbenzene;1,5-dimethylbenzimidazole.
What is the SMILES notation for 1,3-diethylbenzene;1,5-dimethylbenzimidazole?
The canonical SMILES for 1,3-diethylbenzene;1,5-dimethylbenzimidazole is CCc1cccc(CC)c1.Cc1ccc2c(c1)ncn2C.
What is the InChIKey of 1,3-diethylbenzene;1,5-dimethylbenzimidazole?
The InChIKey is XQUYMXKNOJBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H10N2/c1-3-9-6-5-7-10(4-2)8-9;1-7-3-4-9-8(5-7)10-6-11(9)2/h5-8H,3-4H2,1-2H3;3-6H,1-2H3.
What are the key properties of 1,3-diethylbenzene;1,5-dimethylbenzimidazole?
1,3-diethylbenzene;1,5-dimethylbenzimidazole has a molecular weight of 280.42 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylbenzene;1,5-dimethylbenzimidazole is sourced from PubChem (CID 143832422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).