2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol

C16H25N3O — CID 82311619

IUPAC2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
SMILESCCCN(CCC)Cc1nc2ccccc2n1CCO
InChIInChI=1S/C16H25N3O/c1-3-9-18(10-4-2)13-16-17-14-7-5-6-8-15(14)19(16)11-12-20/h5-8,20H,3-4,9-13H2,1-2H3
InChIKeyXUCUQOSBBJNWQG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.65
Rot. Bonds8

About 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol

2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol (PubChem CID 82311619) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
PubChem CID82311619
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
SMILESCCCN(CCC)Cc1nc2ccccc2n1CCO
InChIInChI=1S/C16H25N3O/c1-3-9-18(10-4-2)13-16-17-14-7-5-6-8-15(14)19(16)11-12-20/h5-8,20H,3-4,9-13H2,1-2H3
InChIKeyXUCUQOSBBJNWQG-UHFFFAOYSA-N
XLogP2.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311798
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
cerium;bis(1-(1-propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine);tris(trifluoromethanesulfonate)
CID 162291421
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
ethyl 5-[2-[[bis[[1-(5-ethoxy-5-oxopentyl)benzimidazol-2-yl]methyl]amino]methyl]benzimidazol-1-yl]pentanoate
CID 71311005

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol (CID 82311619) is 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol is CCCN(CCC)Cc1nc2ccccc2n1CCO.
What is the InChIKey of 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol?
The InChIKey is XUCUQOSBBJNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-18(10-4-2)13-16-17-14-7-5-6-8-15(14)19(16)11-12-20/h5-8,20H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol?
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol has a molecular weight of 275.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).