4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole

C18H20N2 — CID 130368704

IUPAC4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole
SMILESCC1(C)c2ccccc2N2CCN(c3ccccc3)C21
InChIInChI=1S/C18H20N2/c1-18(2)15-10-6-7-11-16(15)20-13-12-19(17(18)20)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3
InChIKeyIPVSBRFYNCABLJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds1

About 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole

4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole (PubChem CID 130368704) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole.

Molecular Properties

Compound Name4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole
PubChem CID130368704
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole
SMILESCC1(C)c2ccccc2N2CCN(c3ccccc3)C21
InChIInChI=1S/C18H20N2/c1-18(2)15-10-6-7-11-16(15)20-13-12-19(17(18)20)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3
InChIKeyIPVSBRFYNCABLJ-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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10,10-dimethyl-8-(2-methylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;ethane
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1-methyl-2,3-diphenylimidazolidine
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CID 143249363
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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole?
The IUPAC name of 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole (CID 130368704) is 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole.
What is the SMILES notation for 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole?
The canonical SMILES for 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole is CC1(C)c2ccccc2N2CCN(c3ccccc3)C21.
What is the InChIKey of 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole?
The InChIKey is IPVSBRFYNCABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-18(2)15-10-6-7-11-16(15)20-13-12-19(17(18)20)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole?
4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole has a molecular weight of 264.37 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole is sourced from PubChem (CID 130368704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).