2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C19H26N4OS — CID 129334464

IUPAC2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1sc([C@H]2CCCO2)nc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C19H26N4OS/c1-2-6-15-14(5-1)21-18(22-15)16-7-3-9-23(16)11-13-12-25-19(20-13)17-8-4-10-24-17/h12,16-17H,1-11H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyHFDAPXQMPNRHQC-DLBZAZTESA-N
MW358.51 g/mol
LogP3.93
Rot. Bonds4

About 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 129334464) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID129334464
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1sc([C@H]2CCCO2)nc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C19H26N4OS/c1-2-6-15-14(5-1)21-18(22-15)16-7-3-9-23(16)11-13-12-25-19(20-13)17-8-4-10-24-17/h12,16-17H,1-11H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyHFDAPXQMPNRHQC-DLBZAZTESA-N
XLogP3.93
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 129334464) is 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is c1sc([C@H]2CCCO2)nc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HFDAPXQMPNRHQC-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-6-15-14(5-1)21-18(22-15)16-7-3-9-23(16)11-13-12-25-19(20-13)17-8-4-10-24-17/h12,16-17H,1-11H2,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 358.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 129334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).