2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol

C15H21N3O — CID 166081566

IUPAC2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCn1cnc2c(N3CCC[C@H]3C(C)(C)O)cccc21
InChIInChI=1S/C15H21N3O/c1-15(2,19)13-8-5-9-18(13)12-7-4-6-11-14(12)16-10-17(11)3/h4,6-7,10,13,19H,5,8-9H2,1-3H3/t13-/m0/s1
InChIKeyGVAQFTLLAWHOJJ-ZDUSSCGKSA-N
MW259.35 g/mol
LogP2.31
Rot. Bonds2

About 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 166081566) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID166081566
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCn1cnc2c(N3CCC[C@H]3C(C)(C)O)cccc21
InChIInChI=1S/C15H21N3O/c1-15(2,19)13-8-5-9-18(13)12-7-4-6-11-14(12)16-10-17(11)3/h4,6-7,10,13,19H,5,8-9H2,1-3H3/t13-/m0/s1
InChIKeyGVAQFTLLAWHOJJ-ZDUSSCGKSA-N
XLogP2.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 166081566) is 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol is Cn1cnc2c(N3CCC[C@H]3C(C)(C)O)cccc21.
What is the InChIKey of 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is GVAQFTLLAWHOJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,19)13-8-5-9-18(13)12-7-4-6-11-14(12)16-10-17(11)3/h4,6-7,10,13,19H,5,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1-methylbenzimidazol-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 166081566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).