3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol

C17H24N2O2 — CID 106823271

IUPAC3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCCn1c(CC2(O)CC(OCC)C2)nc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-3-9-19-15-8-6-5-7-14(15)18-16(19)12-17(20)10-13(11-17)21-4-2/h5-8,13,20H,3-4,9-12H2,1-2H3
InChIKeyZRHIJMPSFCFGIP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.92
Rot. Bonds6

About 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol

3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (PubChem CID 106823271) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
PubChem CID106823271
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCCn1c(CC2(O)CC(OCC)C2)nc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-3-9-19-15-8-6-5-7-14(15)18-16(19)12-17(20)10-13(11-17)21-4-2/h5-8,13,20H,3-4,9-12H2,1-2H3
InChIKeyZRHIJMPSFCFGIP-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
CID 79949801
3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823868
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (CID 106823271) is 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is CCCn1c(CC2(O)CC(OCC)C2)nc2ccccc21.
What is the InChIKey of 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The InChIKey is ZRHIJMPSFCFGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-9-19-15-8-6-5-7-14(15)18-16(19)12-17(20)10-13(11-17)21-4-2/h5-8,13,20H,3-4,9-12H2,1-2H3.
What are the key properties of 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).