N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine

C16H16FN3 — CID 133409745

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine
SMILESCC(c1ccccc1F)N(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16FN3/c1-11(12-7-3-4-8-13(12)17)20(2)16-18-14-9-5-6-10-15(14)19-16/h3-11H,1-2H3,(H,18,19)
InChIKeyPJXZIKSQVUQWNN-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.90
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine

N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine (PubChem CID 133409745) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine
PubChem CID133409745
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine
SMILESCC(c1ccccc1F)N(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16FN3/c1-11(12-7-3-4-8-13(12)17)20(2)16-18-14-9-5-6-10-15(14)19-16/h3-11H,1-2H3,(H,18,19)
InChIKeyPJXZIKSQVUQWNN-UHFFFAOYSA-N
XLogP3.90
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83157199
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
CID 60724199
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
[6-[1-(2-fluorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62984853
5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62983613

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine (CID 133409745) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine is CC(c1ccccc1F)N(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is PJXZIKSQVUQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11(12-7-3-4-8-13(12)17)20(2)16-18-14-9-5-6-10-15(14)19-16/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 133409745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).