(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol

C17H25N3O — CID 111970121

IUPAC(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCCC1c1nc2ccccc2n1CC
InChIInChI=1S/C17H25N3O/c1-3-13(21)12-19-11-7-10-16(19)17-18-14-8-5-6-9-15(14)20(17)4-2/h5-6,8-9,13,16,21H,3-4,7,10-12H2,1-2H3/t13-,16?/m1/s1
InChIKeySYOZXWKLQXQSJB-JBZHPUCOSA-N
MW287.41 g/mol
LogP2.96
Rot. Bonds5

About (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol

(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol (PubChem CID 111970121) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
PubChem CID111970121
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCCC1c1nc2ccccc2n1CC
InChIInChI=1S/C17H25N3O/c1-3-13(21)12-19-11-7-10-16(19)17-18-14-8-5-6-9-15(14)20(17)4-2/h5-6,8-9,13,16,21H,3-4,7,10-12H2,1-2H3/t13-,16?/m1/s1
InChIKeySYOZXWKLQXQSJB-JBZHPUCOSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
CID 71859415
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
7-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71855460
7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 96997339
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol (CID 111970121) is (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCCC1c1nc2ccccc2n1CC.
What is the InChIKey of (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol?
The InChIKey is SYOZXWKLQXQSJB-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-13(21)12-19-11-7-10-16(19)17-18-14-8-5-6-9-15(14)20(17)4-2/h5-6,8-9,13,16,21H,3-4,7,10-12H2,1-2H3/t13-,16?/m1/s1.
What are the key properties of (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol?
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol has a molecular weight of 287.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol is sourced from PubChem (CID 111970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).