N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine

C14H9Cl2N3O2 — CID 82562767

IUPACN-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESClc1cc(Cl)cc(Nc2nc3cc4c(cc3[nH]2)OCO4)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-7-1-8(16)3-9(2-7)17-14-18-10-4-12-13(21-6-20-12)5-11(10)19-14/h1-5H,6H2,(H2,17,18,19)
InChIKeyDSDRGBSRPZFIQI-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.34
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (PubChem CID 82562767) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
PubChem CID82562767
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC NameN-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESClc1cc(Cl)cc(Nc2nc3cc4c(cc3[nH]2)OCO4)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-7-1-8(16)3-9(2-7)17-14-18-10-4-12-13(21-6-20-12)5-11(10)19-14/h1-5H,6H2,(H2,17,18,19)
InChIKeyDSDRGBSRPZFIQI-UHFFFAOYSA-N
XLogP4.34
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.34
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-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562752
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82562882
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-[(3-bromo-4-fluorophenyl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564465
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
N-[[4-(trifluoromethyl)phenyl]methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564457
N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564500
6,7-dichloro-[1,3]dioxolo[4,5-g]quinoxaline
CID 133062918

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (CID 82562767) is N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is Clc1cc(Cl)cc(Nc2nc3cc4c(cc3[nH]2)OCO4)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The InChIKey is DSDRGBSRPZFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-7-1-8(16)3-9(2-7)17-14-18-10-4-12-13(21-6-20-12)5-11(10)19-14/h1-5H,6H2,(H2,17,18,19).
What are the key properties of N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine has a molecular weight of 322.15 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is sourced from PubChem (CID 82562767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).