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

C11H11N3O2 — CID 82562780

IUPACN-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESc1c2c(cc3[nH]c(NC4CC4)nc13)OCO2
InChIInChI=1S/C11H11N3O2/c1-2-6(1)12-11-13-7-3-9-10(16-5-15-9)4-8(7)14-11/h3-4,6H,1-2,5H2,(H2,12,13,14)
InChIKeyHUBAEVYUTPOCLD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.87
Rot. Bonds2

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

N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (PubChem CID 82562780) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
PubChem CID82562780
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESc1c2c(cc3[nH]c(NC4CC4)nc13)OCO2
InChIInChI=1S/C11H11N3O2/c1-2-6(1)12-11-13-7-3-9-10(16-5-15-9)4-8(7)14-11/h3-4,6H,1-2,5H2,(H2,12,13,14)
InChIKeyHUBAEVYUTPOCLD-UHFFFAOYSA-N
XLogP1.87
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562767
N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562752
N-[[4-(trifluoromethyl)phenyl]methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564457
N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
N-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-ylmethyl)cyclopropanamine
CID 60834882
N-[(3-bromo-4-fluorophenyl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564465
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylamino)propanoic acid
CID 82562894
2-(oxolan-2-yl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168748
N-cyclopropyl-4,7-dioxa-11,12,14,16-tetrazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,13,15-pentaen-13-amine
CID 82563863
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
CID 162594452
6,7-dichloro-[1,3]dioxolo[4,5-g]quinoxaline
CID 133062918

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The IUPAC name of N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (CID 82562780) is N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.
What is the SMILES notation for N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The canonical SMILES for N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is c1c2c(cc3[nH]c(NC4CC4)nc13)OCO2.
What is the InChIKey of N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The InChIKey is HUBAEVYUTPOCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-6(1)12-11-13-7-3-9-10(16-5-15-9)4-8(7)14-11/h3-4,6H,1-2,5H2,(H2,12,13,14).
What are the key properties of N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine has a molecular weight of 217.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is sourced from PubChem (CID 82562780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).