[2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol

C19H18FN3OS — CID 69284301

IUPAC[2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol
SMILESCSc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(CO)CC3)ccn1
InChIInChI=1S/C19H18FN3OS/c1-25-17-10-13(8-9-21-17)19-18(12-2-4-14(20)5-3-12)22-16-7-6-15(11-24)23(16)19/h2-5,8-10,15,24H,6-7,11H2,1H3
InChIKeyCPVMQSKCGLSAFR-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.95
Rot. Bonds4

About [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol

[2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol (PubChem CID 69284301) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol
PubChem CID69284301
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name[2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol
SMILESCSc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(CO)CC3)ccn1
InChIInChI=1S/C19H18FN3OS/c1-25-17-10-13(8-9-21-17)19-18(12-2-4-14(20)5-3-12)22-16-7-6-15(11-24)23(16)19/h2-5,8-10,15,24H,6-7,11H2,1H3
InChIKeyCPVMQSKCGLSAFR-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol (CID 69284301) is [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol is CSc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(CO)CC3)ccn1.
What is the InChIKey of [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol?
The InChIKey is CPVMQSKCGLSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-25-17-10-13(8-9-21-17)19-18(12-2-4-14(20)5-3-12)22-16-7-6-15(11-24)23(16)19/h2-5,8-10,15,24H,6-7,11H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol?
[2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol has a molecular weight of 355.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-(2-methylsulfanyl-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol is sourced from PubChem (CID 69284301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).