N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine

C15H12BrN3O2 — CID 82562882

IUPACN-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
SMILESBrc1cccc(Nc2nc3cc4c(cc3[nH]2)OCCO4)c1
InChIInChI=1S/C15H12BrN3O2/c16-9-2-1-3-10(6-9)17-15-18-11-7-13-14(8-12(11)19-15)21-5-4-20-13/h1-3,6-8H,4-5H2,(H2,17,18,19)
InChIKeyULPZCISMGGBHKH-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.84
Rot. Bonds2

About N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine

N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine (PubChem CID 82562882) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
PubChem CID82562882
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
SMILESBrc1cccc(Nc2nc3cc4c(cc3[nH]2)OCCO4)c1
InChIInChI=1S/C15H12BrN3O2/c16-9-2-1-3-10(6-9)17-15-18-11-7-13-14(8-12(11)19-15)21-5-4-20-13/h1-3,6-8H,4-5H2,(H2,17,18,19)
InChIKeyULPZCISMGGBHKH-UHFFFAOYSA-N
XLogP3.84
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562767
3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile
CID 82563444
N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564480
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562752
5-bromo-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)aniline
CID 60915608
2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349104
N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564500
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349089
N-[(2-methylsulfonylphenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564503
2-(3-bromoanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611937
N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562780

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine (CID 82562882) is N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine is Brc1cccc(Nc2nc3cc4c(cc3[nH]2)OCCO4)c1.
What is the InChIKey of N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The InChIKey is ULPZCISMGGBHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-9-2-1-3-10(6-9)17-15-18-11-7-13-14(8-12(11)19-15)21-5-4-20-13/h1-3,6-8H,4-5H2,(H2,17,18,19).
What are the key properties of N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine has a molecular weight of 346.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine is sourced from PubChem (CID 82562882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).