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

C18H26N2O — CID 103564206

IUPAC3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCCn1c(CC2(O)CC(C(C)C)C2)nc2ccccc21
InChIInChI=1S/C18H26N2O/c1-4-9-20-16-8-6-5-7-15(16)19-17(20)12-18(21)10-14(11-18)13(2)3/h5-8,13-14,21H,4,9-12H2,1-3H3
InChIKeyXDWAMGAYEWCJRU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.79
Rot. Bonds5

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

3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (PubChem CID 103564206) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
PubChem CID103564206
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCCn1c(CC2(O)CC(C(C)C)C2)nc2ccccc21
InChIInChI=1S/C18H26N2O/c1-4-9-20-16-8-6-5-7-15(16)19-17(20)12-18(21)10-14(11-18)13(2)3/h5-8,13-14,21H,4,9-12H2,1-3H3
InChIKeyXDWAMGAYEWCJRU-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
CID 79949801
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823868
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
CID 79753325
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (CID 103564206) is 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is CCCn1c(CC2(O)CC(C(C)C)C2)nc2ccccc21.
What is the InChIKey of 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The InChIKey is XDWAMGAYEWCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-9-20-16-8-6-5-7-15(16)19-17(20)12-18(21)10-14(11-18)13(2)3/h5-8,13-14,21H,4,9-12H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 103564206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).