(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol

C18H31N3O2 — CID 129341608

IUPAC(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCC(C)COC[C@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C18H31N3O2/c1-13(2)11-23-12-14(22)10-21-9-5-8-17(21)18-19-15-6-3-4-7-16(15)20-18/h13-14,17,22H,3-12H2,1-2H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyRPHKIHFMOJRRJW-RHSMWYFYSA-N
MW321.47 g/mol
LogP2.46
Rot. Bonds7

About (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol

(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 129341608) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID129341608
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCC(C)COC[C@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C18H31N3O2/c1-13(2)11-23-12-14(22)10-21-9-5-8-17(21)18-19-15-6-3-4-7-16(15)20-18/h13-14,17,22H,3-12H2,1-2H3,(H,19,20)/t14-,17-/m1/s1
InChIKeyRPHKIHFMOJRRJW-RHSMWYFYSA-N
XLogP2.46
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983477
1,1,1-trifluoro-3-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 128983550
(2S)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129332607
(2R)-1,1,1-trifluoro-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129332608
(2S)-1,1,1-trifluoro-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129332609
(2R)-1,1,1-trifluoro-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129332610
2-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129351469
2-[(2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129351470
1-amino-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-ol
CID 71778127
1-(2-Methylpropylamino)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-2-ol
CID 81936860
4-(2-Methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-3-ol
CID 81937326
1-Ethoxy-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propan-2-ol
CID 81937858

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol (CID 129341608) is (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol is CC(C)COC[C@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2.
What is the InChIKey of (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is RPHKIHFMOJRRJW-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13(2)11-23-12-14(22)10-21-9-5-8-17(21)18-19-15-6-3-4-7-16(15)20-18/h13-14,17,22H,3-12H2,1-2H3,(H,19,20)/t14-,17-/m1/s1.
What are the key properties of (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol?
(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 321.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 129341608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).