5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole

C12H16N2 — CID 142447843

IUPAC5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole
SMILESCC(C)C1(C)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C12H16N2/c1-9(2)12(3)6-4-5-10-11(7-12)14-8-13-10/h4-9H,1-3H3,(H,13,14)
InChIKeyQKLBIHXOBUYFJH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds1

About 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole

5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole (PubChem CID 142447843) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole
PubChem CID142447843
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole
SMILESCC(C)C1(C)C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C12H16N2/c1-9(2)12(3)6-4-5-10-11(7-12)14-8-13-10/h4-9H,1-3H3,(H,13,14)
InChIKeyQKLBIHXOBUYFJH-UHFFFAOYSA-N
XLogP1.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole?
The IUPAC name of 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole (CID 142447843) is 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole.
What is the SMILES notation for 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole?
The canonical SMILES for 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole is CC(C)C1(C)C=CC=c2[nH]cnc2=C1.
What is the InChIKey of 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole?
The InChIKey is QKLBIHXOBUYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)12(3)6-4-5-10-11(7-12)14-8-13-10/h4-9H,1-3H3,(H,13,14).
What are the key properties of 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole?
5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-1H-cyclohepta[d]imidazole is sourced from PubChem (CID 142447843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).