N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine

C16H16FN3 — CID 43746480

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)c3ccccc3F)cc2[nH]1
InChIInChI=1S/C16H16FN3/c1-10(13-5-3-4-6-14(13)17)18-12-7-8-15-16(9-12)20-11(2)19-15/h3-10,18H,1-2H3,(H,19,20)
InChIKeyWRJUMIPYIJSCLK-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.18
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine

N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 43746480) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID43746480
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)c3ccccc3F)cc2[nH]1
InChIInChI=1S/C16H16FN3/c1-10(13-5-3-4-6-14(13)17)18-12-7-8-15-16(9-12)20-11(2)19-15/h3-10,18H,1-2H3,(H,19,20)
InChIKeyWRJUMIPYIJSCLK-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746343
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
CID 63991681
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
CID 115929031
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine (CID 43746480) is N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NC(C)c3ccccc3F)cc2[nH]1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is WRJUMIPYIJSCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-10(13-5-3-4-6-14(13)17)18-12-7-8-15-16(9-12)20-11(2)19-15/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 269.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).