4-butyl-2,2-dimethylbenzimidazole

C13H18N2 — CID 20537660

IUPAC4-butyl-2,2-dimethylbenzimidazole
SMILESCCCCc1cccc2c1=NC(C)(C)N=2
InChIInChI=1S/C13H18N2/c1-4-5-7-10-8-6-9-11-12(10)15-13(2,3)14-11/h6,8-9H,4-5,7H2,1-3H3
InChIKeyJQHFOVDBVMFDGF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.02
Rot. Bonds3

About 4-butyl-2,2-dimethylbenzimidazole

4-butyl-2,2-dimethylbenzimidazole (PubChem CID 20537660) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-butyl-2,2-dimethylbenzimidazole.

Molecular Properties

Compound Name4-butyl-2,2-dimethylbenzimidazole
PubChem CID20537660
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-butyl-2,2-dimethylbenzimidazole
SMILESCCCCc1cccc2c1=NC(C)(C)N=2
InChIInChI=1S/C13H18N2/c1-4-5-7-10-8-6-9-11-12(10)15-13(2,3)14-11/h6,8-9H,4-5,7H2,1-3H3
InChIKeyJQHFOVDBVMFDGF-UHFFFAOYSA-N
XLogP2.02
TPSA24.72 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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,2-dimethylbenzimidazole?
The IUPAC name of 4-butyl-2,2-dimethylbenzimidazole (CID 20537660) is 4-butyl-2,2-dimethylbenzimidazole.
What is the SMILES notation for 4-butyl-2,2-dimethylbenzimidazole?
The canonical SMILES for 4-butyl-2,2-dimethylbenzimidazole is CCCCc1cccc2c1=NC(C)(C)N=2.
What is the InChIKey of 4-butyl-2,2-dimethylbenzimidazole?
The InChIKey is JQHFOVDBVMFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-7-10-8-6-9-11-12(10)15-13(2,3)14-11/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 4-butyl-2,2-dimethylbenzimidazole?
4-butyl-2,2-dimethylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,2-dimethylbenzimidazole is sourced from PubChem (CID 20537660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).