(7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C16H25N3 — CID 102338627

IUPAC(7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1nc2n(c1N1CCCC1)CC[C@H]2C1CCCCC1
InChIInChI=1S/C16H25N3/c1-2-6-13(7-3-1)14-8-11-19-15(12-17-16(14)19)18-9-4-5-10-18/h12-14H,1-11H2/t14-/m0/s1
InChIKeyTUYJWRIJMUSGCL-AWEZNQCLSA-N
MW259.40 g/mol
LogP3.55
Rot. Bonds2

About (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 102338627) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID102338627
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1nc2n(c1N1CCCC1)CC[C@H]2C1CCCCC1
InChIInChI=1S/C16H25N3/c1-2-6-13(7-3-1)14-8-11-19-15(12-17-16(14)19)18-9-4-5-10-18/h12-14H,1-11H2/t14-/m0/s1
InChIKeyTUYJWRIJMUSGCL-AWEZNQCLSA-N
XLogP3.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Related Compounds

2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
CID 95227992
5',7'-Dihydrospiro[cyclohexane-1,6'-pyrrolo-[1,2-a]imidazole]
CID 134691307
2'-Chloro-5',7'-dihydrospiro[cyclohexane-1,6'-pyrrolo[1,2-a]imidazole]
CID 134691329
(R)-7-cyclohexyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 155930867
(1R*,2R*,6S*,7S*)-4-[(1-methyl-1H-imidazol-2-yl)methyl]-4-azatricyclo[5.2.1.0~2,6~]decane
CID 56876949
1-(3-Cyclohexylheptyl)imidazole
CID 20279015
1-(4-Cyclohexylheptyl)imidazole
CID 20279084
1-(4-Cyclohexyloctyl)imidazole
CID 20279085
1-(Cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
CID 57295333
1-(Cyclohexylmethyl)-2-octylimidazole
CID 70489285
Spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]
CID 89197238
(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 89432900

Frequently Asked Questions

What is the IUPAC name of (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 102338627) is (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1nc2n(c1N1CCCC1)CC[C@H]2C1CCCCC1.
What is the InChIKey of (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is TUYJWRIJMUSGCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-6-13(7-3-1)14-8-11-19-15(12-17-16(14)19)18-9-4-5-10-18/h12-14H,1-11H2/t14-/m0/s1.
What are the key properties of (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 259.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-cyclohexyl-3-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 102338627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).