1-butyl-5,6-dimethylbenzimidazole

C13H18N2 — CID 2130268

IUPAC1-butyl-5,6-dimethylbenzimidazole
SMILESCCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N2/c1-4-5-6-15-9-14-12-7-10(2)11(3)8-13(12)15/h7-9H,4-6H2,1-3H3
InChIKeyLHFOMDUUSOWVPJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.45
Rot. Bonds3

About 1-butyl-5,6-dimethylbenzimidazole

1-butyl-5,6-dimethylbenzimidazole (PubChem CID 2130268) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-butyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-butyl-5,6-dimethylbenzimidazole
PubChem CID2130268
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-butyl-5,6-dimethylbenzimidazole
SMILESCCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N2/c1-4-5-6-15-9-14-12-7-10(2)11(3)8-13(12)15/h7-9H,4-6H2,1-3H3
InChIKeyLHFOMDUUSOWVPJ-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-butyl-5,6-dimethylbenzimidazole (CID 2130268) is 1-butyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-butyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-butyl-5,6-dimethylbenzimidazole is CCCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 1-butyl-5,6-dimethylbenzimidazole?
The InChIKey is LHFOMDUUSOWVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-6-15-9-14-12-7-10(2)11(3)8-13(12)15/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-butyl-5,6-dimethylbenzimidazole?
1-butyl-5,6-dimethylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 2130268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).