3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol

C17H25N3O — CID 82311837

IUPAC3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
SMILESCc1ccc2c(c1)nc(CN1CCCCC1)n2CCCO
InChIInChI=1S/C17H25N3O/c1-14-6-7-16-15(12-14)18-17(20(16)10-5-11-21)13-19-8-3-2-4-9-19/h6-7,12,21H,2-5,8-11,13H2,1H3
InChIKeyCTSGLQDSSYOTCO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.71
Rot. Bonds5

About 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol

3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82311837) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID82311837
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
SMILESCc1ccc2c(c1)nc(CN1CCCCC1)n2CCCO
InChIInChI=1S/C17H25N3O/c1-14-6-7-16-15(12-14)18-17(20(16)10-5-11-21)13-19-8-3-2-4-9-19/h6-7,12,21H,2-5,8-11,13H2,1H3
InChIKeyCTSGLQDSSYOTCO-UHFFFAOYSA-N
XLogP2.71
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
CID 82310634
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 53207619

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol (CID 82311837) is 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol is Cc1ccc2c(c1)nc(CN1CCCCC1)n2CCCO.
What is the InChIKey of 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is CTSGLQDSSYOTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-6-7-16-15(12-14)18-17(20(16)10-5-11-21)13-19-8-3-2-4-9-19/h6-7,12,21H,2-5,8-11,13H2,1H3.
What are the key properties of 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).