3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol

C15H20N2O3 — CID 82149589

IUPAC3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
SMILESCCCCc1nc2cc3c(cc2n1CCCO)OCO3
InChIInChI=1S/C15H20N2O3/c1-2-3-5-15-16-11-8-13-14(20-10-19-13)9-12(11)17(15)6-4-7-18/h8-9,18H,2-7,10H2,1H3
InChIKeyLETJAFNYDSQZMU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds6

About 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol

3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol (PubChem CID 82149589) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
PubChem CID82149589
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
SMILESCCCCc1nc2cc3c(cc2n1CCCO)OCO3
InChIInChI=1S/C15H20N2O3/c1-2-3-5-15-16-11-8-13-14(20-10-19-13)9-12(11)17(15)6-4-7-18/h8-9,18H,2-7,10H2,1H3
InChIKeyLETJAFNYDSQZMU-UHFFFAOYSA-N
XLogP2.49
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol with MolForge

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Related Compounds

2-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145826
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149592
4-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]aniline
CID 82150109
5-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)pentanoic acid
CID 82150191
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145833
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propan-1-ol
CID 84617351
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520

Frequently Asked Questions

What is the IUPAC name of 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The IUPAC name of 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol (CID 82149589) is 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol.
What is the SMILES notation for 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The canonical SMILES for 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol is CCCCc1nc2cc3c(cc2n1CCCO)OCO3.
What is the InChIKey of 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
The InChIKey is LETJAFNYDSQZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-3-5-15-16-11-8-13-14(20-10-19-13)9-12(11)17(15)6-4-7-18/h8-9,18H,2-7,10H2,1H3.
What are the key properties of 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol?
3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol is sourced from PubChem (CID 82149589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).