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

C15H22N2O2 — CID 79753547

IUPAC3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
SMILESCCCn1c(CC(O)C(C)OC)nc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-9-17-13-8-6-5-7-12(13)16-15(17)10-14(18)11(2)19-3/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyPZUMZWNQXRLGLR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds6

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

3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol (PubChem CID 79753547) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
PubChem CID79753547
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
SMILESCCCn1c(CC(O)C(C)OC)nc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-4-9-17-13-8-6-5-7-12(13)16-15(17)10-14(18)11(2)19-3/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyPZUMZWNQXRLGLR-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 103089740
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
CID 79751264
[3-methoxy-1-(1-propylbenzimidazol-2-yl)pentan-2-yl]hydrazine
CID 105270881
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol?
The IUPAC name of 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol (CID 79753547) is 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol is CCCn1c(CC(O)C(C)OC)nc2ccccc21.
What is the InChIKey of 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol?
The InChIKey is PZUMZWNQXRLGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-9-17-13-8-6-5-7-12(13)16-15(17)10-14(18)11(2)19-3/h5-8,11,14,18H,4,9-10H2,1-3H3.
What are the key properties of 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol?
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 79753547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).