N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine

C11H13N3O2 — CID 82564426

IUPACN-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESCCCNc1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C11H13N3O2/c1-2-3-12-11-13-7-4-9-10(16-6-15-9)5-8(7)14-11/h4-5H,2-3,6H2,1H3,(H2,12,13,14)
InChIKeyRJNJKIRMQCVKQG-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.11
Rot. Bonds3

About N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine

N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (PubChem CID 82564426) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.

Molecular Properties

Compound NameN-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
PubChem CID82564426
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESCCCNc1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C11H13N3O2/c1-2-3-12-11-13-7-4-9-10(16-6-15-9)5-8(7)14-11/h4-5H,2-3,6H2,1H3,(H2,12,13,14)
InChIKeyRJNJKIRMQCVKQG-UHFFFAOYSA-N
XLogP2.11
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562780
N-[[4-(trifluoromethyl)phenyl]methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564457
N-[(3-bromo-4-fluorophenyl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564465
N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562767
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562752
N-[(2-methylsulfonylphenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564503
N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564500
N-[1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]propan-1-amine
CID 63023474
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylamino)propanoic acid
CID 82562894
N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564480

Frequently Asked Questions

What is the IUPAC name of N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The IUPAC name of N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (CID 82564426) is N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.
What is the SMILES notation for N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The canonical SMILES for N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is CCCNc1nc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The InChIKey is RJNJKIRMQCVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-12-11-13-7-4-9-10(16-6-15-9)5-8(7)14-11/h4-5H,2-3,6H2,1H3,(H2,12,13,14).
What are the key properties of N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine has a molecular weight of 219.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is sourced from PubChem (CID 82564426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).