3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol

C17H25N3O — CID 114501819

IUPAC3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
SMILESCCCn1c(CC2(O)CCNCC2C)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-10-20-15-7-5-4-6-14(15)19-16(20)11-17(21)8-9-18-12-13(17)2/h4-7,13,18,21H,3,8-12H2,1-2H3
InChIKeyYJDRJIQFZLXJCI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds4

About 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol

3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol (PubChem CID 114501819) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
PubChem CID114501819
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
SMILESCCCn1c(CC2(O)CCNCC2C)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-10-20-15-7-5-4-6-14(15)19-16(20)11-17(21)8-9-18-12-13(17)2/h4-7,13,18,21H,3,8-12H2,1-2H3
InChIKeyYJDRJIQFZLXJCI-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-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

1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 116570155
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
CID 79949801
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663718
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79755052
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol (CID 114501819) is 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol is CCCn1c(CC2(O)CCNCC2C)nc2ccccc21.
What is the InChIKey of 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is YJDRJIQFZLXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-10-20-15-7-5-4-6-14(15)19-16(20)11-17(21)8-9-18-12-13(17)2/h4-7,13,18,21H,3,8-12H2,1-2H3.
What are the key properties of 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol?
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 287.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114501819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).