3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

C16H16FN3 — CID 43194264

IUPAC3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(F)c1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16FN3/c1-11(18-13-7-5-6-12(17)10-13)16-19-14-8-3-4-9-15(14)20(16)2/h3-11,18H,1-2H3
InChIKeyAWOHPRDCVLGBHR-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.89
Rot. Bonds3

About 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (PubChem CID 43194264) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
PubChem CID43194264
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(F)c1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16FN3/c1-11(18-13-7-5-6-12(17)10-13)16-19-14-8-3-4-9-15(14)20(16)2/h3-11,18H,1-2H3
InChIKeyAWOHPRDCVLGBHR-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (CID 43194264) is 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is CC(Nc1cccc(F)c1)c1nc2ccccc2n1C.
What is the InChIKey of 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The InChIKey is AWOHPRDCVLGBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11(18-13-7-5-6-12(17)10-13)16-19-14-8-3-4-9-15(14)20(16)2/h3-11,18H,1-2H3.
What are the key properties of 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline has a molecular weight of 269.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 43194264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).