5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol

C20H31N3O2 — CID 155514268

IUPAC5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1nc2c(OCC3CCCCC3)cccc2[nH]1
InChIInChI=1S/C20H31N3O2/c24-13-6-2-5-12-21-14-19-22-17-10-7-11-18(20(17)23-19)25-15-16-8-3-1-4-9-16/h7,10-11,16,21,24H,1-6,8-9,12-15H2,(H,22,23)
InChIKeyWCVDLXXGVCJHLW-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.77
Rot. Bonds10

About 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol

5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol (PubChem CID 155514268) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol
PubChem CID155514268
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1nc2c(OCC3CCCCC3)cccc2[nH]1
InChIInChI=1S/C20H31N3O2/c24-13-6-2-5-12-21-14-19-22-17-10-7-11-18(20(17)23-19)25-15-16-8-3-1-4-9-16/h7,10-11,16,21,24H,1-6,8-9,12-15H2,(H,22,23)
InChIKeyWCVDLXXGVCJHLW-UHFFFAOYSA-N
XLogP3.77
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol (CID 155514268) is 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol is OCCCCCNCc1nc2c(OCC3CCCCC3)cccc2[nH]1.
What is the InChIKey of 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol?
The InChIKey is WCVDLXXGVCJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-13-6-2-5-12-21-14-19-22-17-10-7-11-18(20(17)23-19)25-15-16-8-3-1-4-9-16/h7,10-11,16,21,24H,1-6,8-9,12-15H2,(H,22,23).
What are the key properties of 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol?
5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol has a molecular weight of 345.49 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 155514268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).