3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole

C20H29N5O2 — CID 129477624

IUPAC3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCn1c([C@H]2CCCN2Cc2noc(C3CCOCC3)n2)nc2c1CCCC2
InChIInChI=1S/C20H29N5O2/c1-24-16-6-3-2-5-15(16)21-19(24)17-7-4-10-25(17)13-18-22-20(27-23-18)14-8-11-26-12-9-14/h14,17H,2-13H2,1H3/t17-/m1/s1
InChIKeyTXDOTELTPBSYMD-QGZVFWFLSA-N
MW371.49 g/mol
LogP2.91
Rot. Bonds4

About 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole

3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 129477624) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID129477624
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCn1c([C@H]2CCCN2Cc2noc(C3CCOCC3)n2)nc2c1CCCC2
InChIInChI=1S/C20H29N5O2/c1-24-16-6-3-2-5-15(16)21-19(24)17-7-4-10-25(17)13-18-22-20(27-23-18)14-8-11-26-12-9-14/h14,17H,2-13H2,1H3/t17-/m1/s1
InChIKeyTXDOTELTPBSYMD-QGZVFWFLSA-N
XLogP2.91
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopentyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128981085
3-(2-methoxyethyl)-5-[[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129338552
3-benzyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128967394
2-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128981084
1-methyl-2-[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978934
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129475019
3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154737174
1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129475472
5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carbonitrile
CID 128979025
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
3-[(1S)-1-ethoxyethyl]-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129330703

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole (CID 129477624) is 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole is Cn1c([C@H]2CCCN2Cc2noc(C3CCOCC3)n2)nc2c1CCCC2.
What is the InChIKey of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is TXDOTELTPBSYMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-24-16-6-3-2-5-15(16)21-19(24)17-7-4-10-25(17)13-18-22-20(27-23-18)14-8-11-26-12-9-14/h14,17H,2-13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole?
3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 371.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 129477624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).