(6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole

C13H13ClF2N2 — CID 142754812

IUPAC(6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESCC1=C2C[C@H](c3c(F)ccc(Cl)c3F)CN2CN1
InChIInChI=1S/C13H13ClF2N2/c1-7-11-4-8(5-18(11)6-17-7)12-10(15)3-2-9(14)13(12)16/h2-3,8,17H,4-6H2,1H3/t8-/m0/s1
InChIKeyMKXJOACJFNLHES-QMMMGPOBSA-N
MW270.71 g/mol
LogP3.20
Rot. Bonds1

About (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole

(6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (PubChem CID 142754812) has the molecular formula C13H13ClF2N2 and a molecular weight of 270.71 g/mol. Its IUPAC name is (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
PubChem CID142754812
Molecular FormulaC13H13ClF2N2
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name(6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESCC1=C2C[C@H](c3c(F)ccc(Cl)c3F)CN2CN1
InChIInChI=1S/C13H13ClF2N2/c1-7-11-4-8(5-18(11)6-17-7)12-10(15)3-2-9(14)13(12)16/h2-3,8,17H,4-6H2,1H3/t8-/m0/s1
InChIKeyMKXJOACJFNLHES-QMMMGPOBSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (CID 142754812) is (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is CC1=C2C[C@H](c3c(F)ccc(Cl)c3F)CN2CN1.
What is the InChIKey of (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The InChIKey is MKXJOACJFNLHES-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClF2N2/c1-7-11-4-8(5-18(11)6-17-7)12-10(15)3-2-9(14)13(12)16/h2-3,8,17H,4-6H2,1H3/t8-/m0/s1.
What are the key properties of (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
(6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole has a molecular weight of 270.71 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 142754812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).