2-ethyl-5,6-dimethyl-1-propylbenzimidazole

C14H20N2 — CID 143667898

IUPAC2-ethyl-5,6-dimethyl-1-propylbenzimidazole
SMILESCCCn1c(CC)nc2cc(C)c(C)cc21
InChIInChI=1S/C14H20N2/c1-5-7-16-13-9-11(4)10(3)8-12(13)15-14(16)6-2/h8-9H,5-7H2,1-4H3
InChIKeyKCFAIWIFACSJLO-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.63
Rot. Bonds3

About 2-ethyl-5,6-dimethyl-1-propylbenzimidazole

2-ethyl-5,6-dimethyl-1-propylbenzimidazole (PubChem CID 143667898) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethyl-1-propylbenzimidazole.

Molecular Properties

Compound Name2-ethyl-5,6-dimethyl-1-propylbenzimidazole
PubChem CID143667898
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-ethyl-5,6-dimethyl-1-propylbenzimidazole
SMILESCCCn1c(CC)nc2cc(C)c(C)cc21
InChIInChI=1S/C14H20N2/c1-5-7-16-13-9-11(4)10(3)8-12(13)15-14(16)6-2/h8-9H,5-7H2,1-4H3
InChIKeyKCFAIWIFACSJLO-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
CID 82150383
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
2-[(2-ethyl-5,6-dimethylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148235
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethyl-1-propylbenzimidazole?
The IUPAC name of 2-ethyl-5,6-dimethyl-1-propylbenzimidazole (CID 143667898) is 2-ethyl-5,6-dimethyl-1-propylbenzimidazole.
What is the SMILES notation for 2-ethyl-5,6-dimethyl-1-propylbenzimidazole?
The canonical SMILES for 2-ethyl-5,6-dimethyl-1-propylbenzimidazole is CCCn1c(CC)nc2cc(C)c(C)cc21.
What is the InChIKey of 2-ethyl-5,6-dimethyl-1-propylbenzimidazole?
The InChIKey is KCFAIWIFACSJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-7-16-13-9-11(4)10(3)8-12(13)15-14(16)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-5,6-dimethyl-1-propylbenzimidazole?
2-ethyl-5,6-dimethyl-1-propylbenzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethyl-1-propylbenzimidazole is sourced from PubChem (CID 143667898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).