3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol

C17H18Cl2N2O — CID 171486611

IUPAC3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
SMILESOc1ccc(Cl)c(Cl)c1[C@@H]1Cc2ncc(C3CCCC3)n2C1
InChIInChI=1S/C17H18Cl2N2O/c18-12-5-6-14(22)16(17(12)19)11-7-15-20-8-13(21(15)9-11)10-3-1-2-4-10/h5-6,8,10-11,22H,1-4,7,9H2/t11-/m1/s1
InChIKeyPQBLMAATKDLHBA-LLVKDONJSA-N
MW337.25 g/mol
LogP4.89
Rot. Bonds2

About 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol

3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol (PubChem CID 171486611) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol.

Molecular Properties

Compound Name3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
PubChem CID171486611
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
SMILESOc1ccc(Cl)c(Cl)c1[C@@H]1Cc2ncc(C3CCCC3)n2C1
InChIInChI=1S/C17H18Cl2N2O/c18-12-5-6-14(22)16(17(12)19)11-7-15-20-8-13(21(15)9-11)10-3-1-2-4-10/h5-6,8,10-11,22H,1-4,7,9H2/t11-/m1/s1
InChIKeyPQBLMAATKDLHBA-LLVKDONJSA-N
XLogP4.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The IUPAC name of 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol (CID 171486611) is 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol.
What is the SMILES notation for 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The canonical SMILES for 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol is Oc1ccc(Cl)c(Cl)c1[C@@H]1Cc2ncc(C3CCCC3)n2C1.
What is the InChIKey of 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The InChIKey is PQBLMAATKDLHBA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-12-5-6-14(22)16(17(12)19)11-7-15-20-8-13(21(15)9-11)10-3-1-2-4-10/h5-6,8,10-11,22H,1-4,7,9H2/t11-/m1/s1.
What are the key properties of 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol has a molecular weight of 337.25 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-[(6S)-3-cyclopentyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol is sourced from PubChem (CID 171486611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).