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

C16H13Cl2N3O2 — CID 82564500

IUPACN-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl
InChIInChI=1S/C16H13Cl2N3O2/c17-10-2-1-9(5-11(10)18)8-19-16-20-12-6-14-15(7-13(12)21-16)23-4-3-22-14/h1-2,5-7H,3-4,8H2,(H2,19,20,21)
InChIKeyKYMZWBUIHUZKRV-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.25
Rot. Bonds3

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

N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine (PubChem CID 82564500) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
PubChem CID82564500
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl
InChIInChI=1S/C16H13Cl2N3O2/c17-10-2-1-9(5-11(10)18)8-19-16-20-12-6-14-15(7-13(12)21-16)23-4-3-22-14/h1-2,5-7H,3-4,8H2,(H2,19,20,21)
InChIKeyKYMZWBUIHUZKRV-UHFFFAOYSA-N
XLogP4.25
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564480
N-[(3-bromo-4-fluorophenyl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564465
N-[[4-(trifluoromethyl)phenyl]methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564457
N-[(2-methylsulfonylphenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564503
N-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564535
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 136862317
N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82562882
[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol
CID 75446207
N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562752
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine (CID 82564500) is N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine is Clc1ccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The InChIKey is KYMZWBUIHUZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c17-10-2-1-9(5-11(10)18)8-19-16-20-12-6-14-15(7-13(12)21-16)23-4-3-22-14/h1-2,5-7H,3-4,8H2,(H2,19,20,21).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine has a molecular weight of 350.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine is sourced from PubChem (CID 82564500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).