1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine

C16H14FN3O — CID 62366268

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1C1CCOc2ccccc21
InChIInChI=1S/C16H14FN3O/c17-11-5-3-6-13-15(11)19-16(18)20(13)12-8-9-21-14-7-2-1-4-10(12)14/h1-7,12H,8-9H2,(H2,18,19)
InChIKeyNMNKHSLWHDQJHA-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.13
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine (PubChem CID 62366268) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
PubChem CID62366268
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1C1CCOc2ccccc21
InChIInChI=1S/C16H14FN3O/c17-11-5-3-6-13-15(11)19-16(18)20(13)12-8-9-21-14-7-2-1-4-10(12)14/h1-7,12H,8-9H2,(H2,18,19)
InChIKeyNMNKHSLWHDQJHA-UHFFFAOYSA-N
XLogP3.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
CID 104719006
3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140893
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
CID 62359258
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79279142
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
1-(3,4-dihydro-2H-chromen-4-yl)-4-iodo-3-methylpyrazol-5-amine
CID 55118042
4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
CID 65472995
[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine
CID 62736158

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine (CID 62366268) is 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine?
The InChIKey is NMNKHSLWHDQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-11-5-3-6-13-15(11)19-16(18)20(13)12-8-9-21-14-7-2-1-4-10(12)14/h1-7,12H,8-9H2,(H2,18,19).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine has a molecular weight of 283.31 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 62366268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).