4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid

C16H18N2O4 — CID 82150052

IUPAC4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid
SMILESO=C(O)CCCn1c(C2CCC2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C16H18N2O4/c19-15(20)5-2-6-18-12-8-14-13(21-9-22-14)7-11(12)17-16(18)10-3-1-4-10/h7-8,10H,1-6,9H2,(H,19,20)
InChIKeyRBKCTPRFPDJOMX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.90
Rot. Bonds5

About 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid

4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid (PubChem CID 82150052) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid
PubChem CID82150052
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid
SMILESO=C(O)CCCn1c(C2CCC2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C16H18N2O4/c19-15(20)5-2-6-18-12-8-14-13(21-9-22-14)7-11(12)17-16(18)10-3-1-4-10/h7-8,10H,1-6,9H2,(H,19,20)
InChIKeyRBKCTPRFPDJOMX-UHFFFAOYSA-N
XLogP2.90
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanenitrile
CID 82150499
5-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)pentanoic acid
CID 82150191
4-[(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]aniline
CID 94756816
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propanoic acid
CID 84615011
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
3-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-2-methylpropanenitrile
CID 82145632
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid?
The IUPAC name of 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid (CID 82150052) is 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid.
What is the SMILES notation for 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid?
The canonical SMILES for 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid is O=C(O)CCCn1c(C2CCC2)nc2cc3c(cc21)OCO3.
What is the InChIKey of 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid?
The InChIKey is RBKCTPRFPDJOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15(20)5-2-6-18-12-8-14-13(21-9-22-14)7-11(12)17-16(18)10-3-1-4-10/h7-8,10H,1-6,9H2,(H,19,20).
What are the key properties of 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid?
4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid is sourced from PubChem (CID 82150052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).