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

C15H22N2O2 — CID 79754393

IUPAC1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(C)(O)COC)nc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-9-17-13-8-6-5-7-12(13)16-14(17)10-15(2,18)11-19-3/h5-8,18H,4,9-11H2,1-3H3
InChIKeyLVSOBYKAJUSOMK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.39
Rot. Bonds6

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

1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79754393) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
PubChem CID79754393
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(C)(O)COC)nc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-9-17-13-8-6-5-7-12(13)16-14(17)10-15(2,18)11-19-3/h5-8,18H,4,9-11H2,1-3H3
InChIKeyLVSOBYKAJUSOMK-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
CID 79753325
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol (CID 79754393) is 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol is CCCn1c(CC(C)(O)COC)nc2ccccc21.
What is the InChIKey of 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is LVSOBYKAJUSOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-9-17-13-8-6-5-7-12(13)16-14(17)10-15(2,18)11-19-3/h5-8,18H,4,9-11H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79754393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).