2,5,6-trimethyl-1-propylbenzimidazole

C13H18N2 — CID 23609987

IUPAC2,5,6-trimethyl-1-propylbenzimidazole
SMILESCCCn1c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N2/c1-5-6-15-11(4)14-12-7-9(2)10(3)8-13(12)15/h7-8H,5-6H2,1-4H3
InChIKeyHCJMLWFXXDVQNQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.37
Rot. Bonds2

About 2,5,6-trimethyl-1-propylbenzimidazole

2,5,6-trimethyl-1-propylbenzimidazole (PubChem CID 23609987) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,5,6-trimethyl-1-propylbenzimidazole.

Molecular Properties

Compound Name2,5,6-trimethyl-1-propylbenzimidazole
PubChem CID23609987
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,5,6-trimethyl-1-propylbenzimidazole
SMILESCCCn1c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N2/c1-5-6-15-11(4)14-12-7-9(2)10(3)8-13(12)15/h7-8H,5-6H2,1-4H3
InChIKeyHCJMLWFXXDVQNQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole
CID 18885770
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
CID 1487330
10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
CID 90306732
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-1-propylbenzimidazole?
The IUPAC name of 2,5,6-trimethyl-1-propylbenzimidazole (CID 23609987) is 2,5,6-trimethyl-1-propylbenzimidazole.
What is the SMILES notation for 2,5,6-trimethyl-1-propylbenzimidazole?
The canonical SMILES for 2,5,6-trimethyl-1-propylbenzimidazole is CCCn1c(C)nc2cc(C)c(C)cc21.
What is the InChIKey of 2,5,6-trimethyl-1-propylbenzimidazole?
The InChIKey is HCJMLWFXXDVQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-6-15-11(4)14-12-7-9(2)10(3)8-13(12)15/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,5,6-trimethyl-1-propylbenzimidazole?
2,5,6-trimethyl-1-propylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1-propylbenzimidazole is sourced from PubChem (CID 23609987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).