3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol

C14H21N3O — CID 82311877

IUPAC3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
SMILESCC(c1nc2ccccc2n1CCCO)N(C)C
InChIInChI=1S/C14H21N3O/c1-11(16(2)3)14-15-12-7-4-5-8-13(12)17(14)9-6-10-18/h4-5,7-8,11,18H,6,9-10H2,1-3H3
InChIKeyMWHRLLLCSBRMMI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.04
Rot. Bonds5

About 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol

3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 82311877) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
PubChem CID82311877
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
SMILESCC(c1nc2ccccc2n1CCCO)N(C)C
InChIInChI=1S/C14H21N3O/c1-11(16(2)3)14-15-12-7-4-5-8-13(12)17(14)9-6-10-18/h4-5,7-8,11,18H,6,9-10H2,1-3H3
InChIKeyMWHRLLLCSBRMMI-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
CID 82311869
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
3-(2-methylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol
CID 6624969
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
CID 82310709
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
CID 82311925
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82024804
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol (CID 82311877) is 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol is CC(c1nc2ccccc2n1CCCO)N(C)C.
What is the InChIKey of 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is MWHRLLLCSBRMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(16(2)3)14-15-12-7-4-5-8-13(12)17(14)9-6-10-18/h4-5,7-8,11,18H,6,9-10H2,1-3H3.
What are the key properties of 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol?
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).