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

C17H25N3O — CID 82311802

IUPAC3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
SMILESCC1CCCCN1Cc1nc2ccccc2n1CCCO
InChIInChI=1S/C17H25N3O/c1-14-7-4-5-10-19(14)13-17-18-15-8-2-3-9-16(15)20(17)11-6-12-21/h2-3,8-9,14,21H,4-7,10-13H2,1H3
InChIKeyKZMQELGIZIKYFB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.79
Rot. Bonds5

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

3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 82311802) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
PubChem CID82311802
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
SMILESCC1CCCCN1Cc1nc2ccccc2n1CCCO
InChIInChI=1S/C17H25N3O/c1-14-7-4-5-10-19(14)13-17-18-15-8-2-3-9-16(15)20(17)11-6-12-21/h2-3,8-9,14,21H,4-7,10-13H2,1H3
InChIKeyKZMQELGIZIKYFB-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
2-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1-propylbenzimidazole
CID 95792196
3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311798
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
(3R,7R,8aR)-3-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92590755
ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
1-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-3-(methylsulfanylmethyl)benzimidazol-2-one
CID 23551428
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
4-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244811

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol (CID 82311802) is 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol is CC1CCCCN1Cc1nc2ccccc2n1CCCO.
What is the InChIKey of 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is KZMQELGIZIKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-7-4-5-10-19(14)13-17-18-15-8-2-3-9-16(15)20(17)11-6-12-21/h2-3,8-9,14,21H,4-7,10-13H2,1H3.
What are the key properties of 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol?
3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).