1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole

C14H16N2 — CID 67546726

IUPAC1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole
SMILESCC1(C)Cc2ccccc2[C@@H]1n1ccnc1
InChIInChI=1S/C14H16N2/c1-14(2)9-11-5-3-4-6-12(11)13(14)16-8-7-15-10-16/h3-8,10,13H,9H2,1-2H3/t13-/m0/s1
InChIKeyHJLOIUZLAZVCHR-ZDUSSCGKSA-N
MW212.30 g/mol
LogP3.05
Rot. Bonds1

About 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole

1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole (PubChem CID 67546726) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole.

Molecular Properties

Compound Name1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole
PubChem CID67546726
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole
SMILESCC1(C)Cc2ccccc2[C@@H]1n1ccnc1
InChIInChI=1S/C14H16N2/c1-14(2)9-11-5-3-4-6-12(11)13(14)16-8-7-15-10-16/h3-8,10,13H,9H2,1-2H3/t13-/m0/s1
InChIKeyHJLOIUZLAZVCHR-ZDUSSCGKSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole?
The IUPAC name of 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole (CID 67546726) is 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole.
What is the SMILES notation for 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole?
The canonical SMILES for 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole is CC1(C)Cc2ccccc2[C@@H]1n1ccnc1.
What is the InChIKey of 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole?
The InChIKey is HJLOIUZLAZVCHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2/c1-14(2)9-11-5-3-4-6-12(11)13(14)16-8-7-15-10-16/h3-8,10,13H,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole?
1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole is sourced from PubChem (CID 67546726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).