6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole

C12H16N2 — CID 145372041

IUPAC6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole
SMILESCC1C=Cc2nc(C(C)C)[nH]c2C=C1
InChIInChI=1S/C12H16N2/c1-8(2)12-13-10-6-4-9(3)5-7-11(10)14-12/h4-9H,1-3H3,(H,13,14)
InChIKeyPAUSBHMOTNKHED-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.21
Rot. Bonds1

About 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole

6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole (PubChem CID 145372041) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole
PubChem CID145372041
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole
SMILESCC1C=Cc2nc(C(C)C)[nH]c2C=C1
InChIInChI=1S/C12H16N2/c1-8(2)12-13-10-6-4-9(3)5-7-11(10)14-12/h4-9H,1-3H3,(H,13,14)
InChIKeyPAUSBHMOTNKHED-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole?
The IUPAC name of 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole (CID 145372041) is 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole is CC1C=Cc2nc(C(C)C)[nH]c2C=C1.
What is the InChIKey of 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole?
The InChIKey is PAUSBHMOTNKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)12-13-10-6-4-9(3)5-7-11(10)14-12/h4-9H,1-3H3,(H,13,14).
What are the key properties of 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole?
6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole has a molecular weight of 188.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 145372041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).