(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol

C18H25N3O2 — CID 129482531

IUPAC(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCn1c(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)nc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-18(22)9-11-23-12-13(18)15-8-5-10-21(15)17-19-14-6-3-4-7-16(14)20(17)2/h3-4,6-7,13,15,22H,5,8-12H2,1-2H3/t13-,15+,18+/m0/s1
InChIKeyFXUQHNJVEDMKMG-JCKWVBRZSA-N
MW315.42 g/mol
LogP2.33
Rot. Bonds2

About (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol

(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129482531) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129482531
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCn1c(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)nc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-18(22)9-11-23-12-13(18)15-8-5-10-21(15)17-19-14-6-3-4-7-16(14)20(17)2/h3-4,6-7,13,15,22H,5,8-12H2,1-2H3/t13-,15+,18+/m0/s1
InChIKeyFXUQHNJVEDMKMG-JCKWVBRZSA-N
XLogP2.33
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol with MolForge

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Related Compounds

(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol
CID 129482891
(3R,4S)-3-[(2S)-1-(2-benzylpyrimidin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482911
(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129482303
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483548
4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 166197861
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 128975592
(3R,4R)-3-[(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482675
3-[[(2R)-2-[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]benzamide
CID 129483777
2-[2-[[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 129484122
3-[1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 167749847
3-[[(2R)-2-[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129483340
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 129483783

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol (CID 129482531) is (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol is Cn1c(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)nc2ccccc21.
What is the InChIKey of (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is FXUQHNJVEDMKMG-JCKWVBRZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(22)9-11-23-12-13(18)15-8-5-10-21(15)17-19-14-6-3-4-7-16(14)20(17)2/h3-4,6-7,13,15,22H,5,8-12H2,1-2H3/t13-,15+,18+/m0/s1.
What are the key properties of (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol?
(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 315.42 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129482531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).