7-bromo-1-ethyl-5-methylbenzimidazole;ethane

C12H17BrN2 — CID 177146830

IUPAC7-bromo-1-ethyl-5-methylbenzimidazole;ethane
SMILESCC.CCn1cnc2cc(C)cc(Br)c21
InChIInChI=1S/C10H11BrN2.C2H6/c1-3-13-6-12-9-5-7(2)4-8(11)10(9)13;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyBNOQBAHRAMWTET-UHFFFAOYSA-N
MW269.19 g/mol
LogP4.15
Rot. Bonds1

About 7-bromo-1-ethyl-5-methylbenzimidazole;ethane

7-bromo-1-ethyl-5-methylbenzimidazole;ethane (PubChem CID 177146830) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 7-bromo-1-ethyl-5-methylbenzimidazole;ethane.

Molecular Properties

Compound Name7-bromo-1-ethyl-5-methylbenzimidazole;ethane
PubChem CID177146830
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name7-bromo-1-ethyl-5-methylbenzimidazole;ethane
SMILESCC.CCn1cnc2cc(C)cc(Br)c21
InChIInChI=1S/C10H11BrN2.C2H6/c1-3-13-6-12-9-5-7(2)4-8(11)10(9)13;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyBNOQBAHRAMWTET-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane
CID 162382422
3,7-dibromo-1-ethyl-5-methylindole
CID 90146694
1-ethyl-6,7-difluorobenzimidazole
CID 54758749
3-ethyl-6-methylquinazolin-4-one
CID 70641598
3-ethyl-5-methylimidazol-4-amine
CID 62075163
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile
CID 84639418
5-bromo-7-methylquinoxaline
CID 45117463
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
3-ethylimidazo[4,5-c]pyridin-6-amine
CID 115012751
8-bromo-2-chloro-6-methylquinoxaline
CID 15239007
5-bromo-2-chloro-7-methylquinoxaline
CID 15239008

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-ethyl-5-methylbenzimidazole;ethane?
The IUPAC name of 7-bromo-1-ethyl-5-methylbenzimidazole;ethane (CID 177146830) is 7-bromo-1-ethyl-5-methylbenzimidazole;ethane.
What is the SMILES notation for 7-bromo-1-ethyl-5-methylbenzimidazole;ethane?
The canonical SMILES for 7-bromo-1-ethyl-5-methylbenzimidazole;ethane is CC.CCn1cnc2cc(C)cc(Br)c21.
What is the InChIKey of 7-bromo-1-ethyl-5-methylbenzimidazole;ethane?
The InChIKey is BNOQBAHRAMWTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2.C2H6/c1-3-13-6-12-9-5-7(2)4-8(11)10(9)13;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of 7-bromo-1-ethyl-5-methylbenzimidazole;ethane?
7-bromo-1-ethyl-5-methylbenzimidazole;ethane has a molecular weight of 269.19 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-ethyl-5-methylbenzimidazole;ethane is sourced from PubChem (CID 177146830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).