(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole

C12H16N2 — CID 141032267

IUPAC(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
SMILESc1ccc(N2C[C@@H]3CCCN3C2)cc1
InChIInChI=1S/C12H16N2/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyVMXVIUFYYDGVEJ-LBPRGKRZSA-N
MW188.27 g/mol
LogP1.93
Rot. Bonds1

About (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole

(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole (PubChem CID 141032267) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
PubChem CID141032267
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
SMILESc1ccc(N2C[C@@H]3CCCN3C2)cc1
InChIInChI=1S/C12H16N2/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyVMXVIUFYYDGVEJ-LBPRGKRZSA-N
XLogP1.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-cycloheptyl-4-phenylpiperazine
CID 2846720
2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 162625354
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzoic acid
CID 63150848
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzaldehyde
CID 55166369
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
CID 131936440
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347

Frequently Asked Questions

What is the IUPAC name of (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The IUPAC name of (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole (CID 141032267) is (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole.
What is the SMILES notation for (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The canonical SMILES for (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole is c1ccc(N2C[C@@H]3CCCN3C2)cc1.
What is the InChIKey of (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The InChIKey is VMXVIUFYYDGVEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-5-11(6-3-1)14-9-12-7-4-8-13(12)10-14/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1.
What are the key properties of (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole is sourced from PubChem (CID 141032267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).