2,2-dibutyl-5-methylbenzimidazole

C16H24N2 — CID 141348930

IUPAC2,2-dibutyl-5-methylbenzimidazole
SMILESCCCCC1(CCCC)N=c2ccc(C)cc2=N1
InChIInChI=1S/C16H24N2/c1-4-6-10-16(11-7-5-2)17-14-9-8-13(3)12-15(14)18-16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyDCUIHSVMXMPVNQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.32
Rot. Bonds6

About 2,2-dibutyl-5-methylbenzimidazole

2,2-dibutyl-5-methylbenzimidazole (PubChem CID 141348930) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,2-dibutyl-5-methylbenzimidazole.

Molecular Properties

Compound Name2,2-dibutyl-5-methylbenzimidazole
PubChem CID141348930
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,2-dibutyl-5-methylbenzimidazole
SMILESCCCCC1(CCCC)N=c2ccc(C)cc2=N1
InChIInChI=1S/C16H24N2/c1-4-6-10-16(11-7-5-2)17-14-9-8-13(3)12-15(14)18-16/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyDCUIHSVMXMPVNQ-UHFFFAOYSA-N
XLogP3.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylindoloindole
CID 129682394
CID 19688767
CID 19688767
2,2-Dihexylbenzimidazole
CID 20537646
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
5-Methylspiro[benzimidazole-2,1'-cyclohexane]
CID 20537702
5,6-Dimethylspiro[benzimidazole-2,1'-cyclohexane]
CID 20537712
5-Ethenylspiro[benzimidazole-2,1'-cyclohexane]
CID 20537806
4-Hexylbenzimidazol-2-one
CID 21657233
4-Pentylbenzimidazol-2-one
CID 53757466
5-(2,5-Dimethylbenzimidazol-2-yl)pentan-1-amine
CID 54088930
CID 54180634
CID 54180634

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-5-methylbenzimidazole?
The IUPAC name of 2,2-dibutyl-5-methylbenzimidazole (CID 141348930) is 2,2-dibutyl-5-methylbenzimidazole.
What is the SMILES notation for 2,2-dibutyl-5-methylbenzimidazole?
The canonical SMILES for 2,2-dibutyl-5-methylbenzimidazole is CCCCC1(CCCC)N=c2ccc(C)cc2=N1.
What is the InChIKey of 2,2-dibutyl-5-methylbenzimidazole?
The InChIKey is DCUIHSVMXMPVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-6-10-16(11-7-5-2)17-14-9-8-13(3)12-15(14)18-16/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 2,2-dibutyl-5-methylbenzimidazole?
2,2-dibutyl-5-methylbenzimidazole has a molecular weight of 244.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-5-methylbenzimidazole is sourced from PubChem (CID 141348930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).