1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol

C17H25N3O2 — CID 110879081

IUPAC1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
SMILESCCCc1nc2ccccc2n1CC(O)CN1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-2-5-17-18-15-6-3-4-7-16(15)20(17)13-14(21)12-19-8-10-22-11-9-19/h3-4,6-7,14,21H,2,5,8-13H2,1H3
InChIKeyYZUKAVPEYHIYGV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.68
Rot. Bonds6

About 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol

1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol (PubChem CID 110879081) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
PubChem CID110879081
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
SMILESCCCc1nc2ccccc2n1CC(O)CN1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-2-5-17-18-15-6-3-4-7-16(15)20(17)13-14(21)12-19-8-10-22-11-9-19/h3-4,6-7,14,21H,2,5,8-13H2,1H3
InChIKeyYZUKAVPEYHIYGV-UHFFFAOYSA-N
XLogP1.68
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 112568352
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449453
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
CID 164835741
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971237
4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
CID 7029928
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol (CID 110879081) is 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol is CCCc1nc2ccccc2n1CC(O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is YZUKAVPEYHIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-5-17-18-15-6-3-4-7-16(15)20(17)13-14(21)12-19-8-10-22-11-9-19/h3-4,6-7,14,21H,2,5,8-13H2,1H3.
What are the key properties of 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 110879081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).