1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol

C14H20N2O2 — CID 112568352

IUPAC1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
SMILESCCCc1nc2ccccc2n1CC(O)COC
InChIInChI=1S/C14H20N2O2/c1-3-6-14-15-12-7-4-5-8-13(12)16(14)9-11(17)10-18-2/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3
InChIKeyYBDLCLYGJHOEBI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.00
Rot. Bonds6

About 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol

1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol (PubChem CID 112568352) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
PubChem CID112568352
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
SMILESCCCc1nc2ccccc2n1CC(O)COC
InChIInChI=1S/C14H20N2O2/c1-3-6-14-15-12-7-4-5-8-13(12)16(14)9-11(17)10-18-2/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3
InChIKeyYBDLCLYGJHOEBI-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
CID 7029928
1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 110879081
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
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
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
CID 47557039

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol (CID 112568352) is 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol is CCCc1nc2ccccc2n1CC(O)COC.
What is the InChIKey of 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is YBDLCLYGJHOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-6-14-15-12-7-4-5-8-13(12)16(14)9-11(17)10-18-2/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3.
What are the key properties of 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol?
1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 112568352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).