3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol

C16H25N3O2 — CID 82311869

IUPAC3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
SMILESCCC(c1nc2ccccc2n1CCCO)N(C)CCO
InChIInChI=1S/C16H25N3O2/c1-3-14(18(2)10-12-21)16-17-13-7-4-5-8-15(13)19(16)9-6-11-20/h4-5,7-8,14,20-21H,3,6,9-12H2,1-2H3
InChIKeyUXUMSZYLZHEBCF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.79
Rot. Bonds8

About 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol

3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 82311869) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
PubChem CID82311869
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
SMILESCCC(c1nc2ccccc2n1CCCO)N(C)CCO
InChIInChI=1S/C16H25N3O2/c1-3-14(18(2)10-12-21)16-17-13-7-4-5-8-15(13)19(16)9-6-11-20/h4-5,7-8,14,20-21H,3,6,9-12H2,1-2H3
InChIKeyUXUMSZYLZHEBCF-UHFFFAOYSA-N
XLogP1.79
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311798
2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
CID 82311925
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine
CID 82311440
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
CID 82150158
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol (CID 82311869) is 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol is CCC(c1nc2ccccc2n1CCCO)N(C)CCO.
What is the InChIKey of 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is UXUMSZYLZHEBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-14(18(2)10-12-21)16-17-13-7-4-5-8-15(13)19(16)9-6-11-20/h4-5,7-8,14,20-21H,3,6,9-12H2,1-2H3.
What are the key properties of 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol?
3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).