3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C14H19N5O3S — CID 167931781

IUPAC3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(S(=O)(=O)c2cnc3n2CCC3)C1
InChIInChI=1S/C14H19N5O3S/c1-22-10-7-11(14-15-4-5-16-14)19(9-10)23(20,21)13-8-17-12-3-2-6-18(12)13/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,15,16)/t10-,11?/m1/s1
InChIKeyDTFAMRUOAMBREX-NFJWQWPMSA-N
MW337.41 g/mol
LogP0.70
Rot. Bonds4

About 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 167931781) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID167931781
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(S(=O)(=O)c2cnc3n2CCC3)C1
InChIInChI=1S/C14H19N5O3S/c1-22-10-7-11(14-15-4-5-16-14)19(9-10)23(20,21)13-8-17-12-3-2-6-18(12)13/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,15,16)/t10-,11?/m1/s1
InChIKeyDTFAMRUOAMBREX-NFJWQWPMSA-N
XLogP0.70
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 167931781) is 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CO[C@@H]1CC(c2ncc[nH]2)N(S(=O)(=O)c2cnc3n2CCC3)C1.
What is the InChIKey of 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is DTFAMRUOAMBREX-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-22-10-7-11(14-15-4-5-16-14)19(9-10)23(20,21)13-8-17-12-3-2-6-18(12)13/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,15,16)/t10-,11?/m1/s1.
What are the key properties of 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 337.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 167931781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).