3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol

C17H27N3O — CID 82311798

IUPAC3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
SMILESCCCN(CCC)Cc1nc2ccccc2n1CCCO
InChIInChI=1S/C17H27N3O/c1-3-10-19(11-4-2)14-17-18-15-8-5-6-9-16(15)20(17)12-7-13-21/h5-6,8-9,21H,3-4,7,10-14H2,1-2H3
InChIKeyYAFBFAUCAOEDDZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds9

About 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol

3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 82311798) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
PubChem CID82311798
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
SMILESCCCN(CCC)Cc1nc2ccccc2n1CCCO
InChIInChI=1S/C17H27N3O/c1-3-10-19(11-4-2)14-17-18-15-8-5-6-9-16(15)20(17)12-7-13-21/h5-6,8-9,21H,3-4,7,10-14H2,1-2H3
InChIKeyYAFBFAUCAOEDDZ-UHFFFAOYSA-N
XLogP3.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
ethyl 5-[2-[[bis[[1-(5-ethoxy-5-oxopentyl)benzimidazol-2-yl]methyl]amino]methyl]benzimidazol-1-yl]pentanoate
CID 71311005
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
cerium;bis(1-(1-propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine);tris(trifluoromethanesulfonate)
CID 162291421
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol (CID 82311798) is 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol is CCCN(CCC)Cc1nc2ccccc2n1CCCO.
What is the InChIKey of 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is YAFBFAUCAOEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-19(11-4-2)14-17-18-15-8-5-6-9-16(15)20(17)12-7-13-21/h5-6,8-9,21H,3-4,7,10-14H2,1-2H3.
What are the key properties of 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol?
3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).