1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine

C16H16FN3 — CID 72702181

IUPAC1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
SMILESCN(C)c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3/c1-19(2)16-18-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,11H2,1-2H3
InChIKeyVKUIEFZATODFBG-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.29
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine

1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine (PubChem CID 72702181) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
PubChem CID72702181
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
SMILESCN(C)c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3/c1-19(2)16-18-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,11H2,1-2H3
InChIKeyVKUIEFZATODFBG-UHFFFAOYSA-N
XLogP3.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine (CID 72702181) is 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine is CN(C)c1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine?
The InChIKey is VKUIEFZATODFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-19(2)16-18-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine?
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 72702181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).