1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol

C25H30N2O — CID 130300394

IUPAC1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol
SMILESCC1=C(c2ccccc2)C(CC(O)C23CC4CC(CC(C4)C2)C3)n2cncc21
InChIInChI=1S/C25H30N2O/c1-16-22-14-26-15-27(22)21(24(16)20-5-3-2-4-6-20)10-23(28)25-11-17-7-18(12-25)9-19(8-17)13-25/h2-6,14-15,17-19,21,23,28H,7-13H2,1H3
InChIKeySPEQGIWJXVFYGU-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.34
Rot. Bonds4

About 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol

1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol (PubChem CID 130300394) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol
PubChem CID130300394
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol
SMILESCC1=C(c2ccccc2)C(CC(O)C23CC4CC(CC(C4)C2)C3)n2cncc21
InChIInChI=1S/C25H30N2O/c1-16-22-14-26-15-27(22)21(24(16)20-5-3-2-4-6-20)10-23(28)25-11-17-7-18(12-25)9-19(8-17)13-25/h2-6,14-15,17-19,21,23,28H,7-13H2,1H3
InChIKeySPEQGIWJXVFYGU-UHFFFAOYSA-N
XLogP5.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol (CID 130300394) is 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol is CC1=C(c2ccccc2)C(CC(O)C23CC4CC(CC(C4)C2)C3)n2cncc21.
What is the InChIKey of 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol?
The InChIKey is SPEQGIWJXVFYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-16-22-14-26-15-27(22)21(24(16)20-5-3-2-4-6-20)10-23(28)25-11-17-7-18(12-25)9-19(8-17)13-25/h2-6,14-15,17-19,21,23,28H,7-13H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol?
1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol has a molecular weight of 374.53 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol is sourced from PubChem (CID 130300394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).