N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline

C16H16FN3 — CID 60837376

IUPACN-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCc2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C16H16FN3/c1-11-5-7-12(8-6-11)18-10-9-15-19-14-4-2-3-13(17)16(14)20-15/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyNAJMMBGLBTUAFL-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.67
Rot. Bonds4

About N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline

N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline (PubChem CID 60837376) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
PubChem CID60837376
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCc2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C16H16FN3/c1-11-5-7-12(8-6-11)18-10-9-15-19-14-4-2-3-13(17)16(14)20-15/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyNAJMMBGLBTUAFL-UHFFFAOYSA-N
XLogP3.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
CID 64722128
4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 63724669
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 63772504
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 114289881
tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
CID 118996720
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline (CID 60837376) is N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline is Cc1ccc(NCCc2nc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline?
The InChIKey is NAJMMBGLBTUAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-5-7-12(8-6-11)18-10-9-15-19-14-4-2-3-13(17)16(14)20-15/h2-8,18H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline?
N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline has a molecular weight of 269.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 60837376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).