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

C16H14FN3O2 — CID 82564480

IUPACN-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
SMILESFc1cccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)c1
InChIInChI=1S/C16H14FN3O2/c17-11-3-1-2-10(6-11)9-18-16-19-12-7-14-15(8-13(12)20-16)22-5-4-21-14/h1-3,6-8H,4-5,9H2,(H2,18,19,20)
InChIKeyFSHMPLZPCNTRQN-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.09
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine (PubChem CID 82564480) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
PubChem CID82564480
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
SMILESFc1cccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)c1
InChIInChI=1S/C16H14FN3O2/c17-11-3-1-2-10(6-11)9-18-16-19-12-7-14-15(8-13(12)20-16)22-5-4-21-14/h1-3,6-8H,4-5,9H2,(H2,18,19,20)
InChIKeyFSHMPLZPCNTRQN-UHFFFAOYSA-N
XLogP3.09
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564500
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-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82564643
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82562882
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349059
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl)aniline
CID 65346593
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol
CID 137011218

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine (CID 82564480) is N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine is Fc1cccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
The InChIKey is FSHMPLZPCNTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-11-3-1-2-10(6-11)9-18-16-19-12-7-14-15(8-13(12)20-16)22-5-4-21-14/h1-3,6-8H,4-5,9H2,(H2,18,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine?
N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine has a molecular weight of 299.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine is sourced from PubChem (CID 82564480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).