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

C15H20N2O — CID 79753348

IUPAC1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCCn1c(CC2(O)CCC2)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-10-17-13-7-4-3-6-12(13)16-14(17)11-15(18)8-5-9-15/h3-4,6-7,18H,2,5,8-11H2,1H3
InChIKeyHFEUAXMBGMRGGS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.90
Rot. Bonds4

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

1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (PubChem CID 79753348) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
PubChem CID79753348
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCCCn1c(CC2(O)CCC2)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-10-17-13-7-4-3-6-12(13)16-14(17)11-15(18)8-5-9-15/h3-4,6-7,18H,2,5,8-11H2,1H3
InChIKeyHFEUAXMBGMRGGS-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
CID 79949801
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 107267629

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (CID 79753348) is 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is CCCn1c(CC2(O)CCC2)nc2ccccc21.
What is the InChIKey of 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The InChIKey is HFEUAXMBGMRGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-10-17-13-7-4-3-6-12(13)16-14(17)11-15(18)8-5-9-15/h3-4,6-7,18H,2,5,8-11H2,1H3.
What are the key properties of 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 79753348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).