1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane

C16H30N2 — CID 153352083

IUPAC1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane
SMILESCC.CC.CC.Cc1nc2c(n1C)=CCC=CC=2
InChIInChI=1S/C10H12N2.3C2H6/c1-8-11-9-6-4-3-5-7-10(9)12(8)2;3*1-2/h3-4,6-7H,5H2,1-2H3;3*1-2H3
InChIKeyNTUKSDVWQMDJBG-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.33
Rot. Bonds

About 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane

1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane (PubChem CID 153352083) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane.

Molecular Properties

Compound Name1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane
PubChem CID153352083
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane
SMILESCC.CC.CC.Cc1nc2c(n1C)=CCC=CC=2
InChIInChI=1S/C10H12N2.3C2H6/c1-8-11-9-6-4-3-5-7-10(9)12(8)2;3*1-2/h3-4,6-7H,5H2,1-2H3;3*1-2H3
InChIKeyNTUKSDVWQMDJBG-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane?
The IUPAC name of 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane (CID 153352083) is 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane.
What is the SMILES notation for 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane?
The canonical SMILES for 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane is CC.CC.CC.Cc1nc2c(n1C)=CCC=CC=2.
What is the InChIKey of 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane?
The InChIKey is NTUKSDVWQMDJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.3C2H6/c1-8-11-9-6-4-3-5-7-10(9)12(8)2;3*1-2/h3-4,6-7H,5H2,1-2H3;3*1-2H3.
What are the key properties of 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane?
1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane has a molecular weight of 250.43 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane is sourced from PubChem (CID 153352083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).