2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole

C14H19N3O2 — CID 128978161

IUPAC2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole
SMILESCOC[C@@H]1C[C@@H](OC)CN1c1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-18-9-10-7-11(19-2)8-17(10)14-15-12-5-3-4-6-13(12)16-14/h3-6,10-11H,7-9H2,1-2H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyOBWIUJYVXLOROS-WDEREUQCSA-N
MW261.32 g/mol
LogP1.80
Rot. Bonds4

About 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole

2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole (PubChem CID 128978161) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole
PubChem CID128978161
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole
SMILESCOC[C@@H]1C[C@@H](OC)CN1c1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-18-9-10-7-11(19-2)8-17(10)14-15-12-5-3-4-6-13(12)16-14/h3-6,10-11H,7-9H2,1-2H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyOBWIUJYVXLOROS-WDEREUQCSA-N
XLogP1.80
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole
CID 133409910
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
2-ethyl-4-methoxy-1-phenylpyrrolidine
CID 154695448
2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 128978294
(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128990361
2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 128978128
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
2-[(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-1H-benzimidazole
CID 44518258
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole (CID 128978161) is 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole is COC[C@@H]1C[C@@H](OC)CN1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole?
The InChIKey is OBWIUJYVXLOROS-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-9-10-7-11(19-2)8-17(10)14-15-12-5-3-4-6-13(12)16-14/h3-6,10-11H,7-9H2,1-2H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole?
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole has a molecular weight of 261.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 128978161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).