4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

C13H16FN3 — CID 24947327

IUPAC4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-11(14)4-6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyVRTRCQWZSDTCHC-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.96
Rot. Bonds4

About 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline (PubChem CID 24947327) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
PubChem CID24947327
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-11(14)4-6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyVRTRCQWZSDTCHC-UHFFFAOYSA-N
XLogP2.96
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Immethridine
CID 9989505
4-(4-fluorophenyl)-1H-imidazole
CID 657876
4-(1H-imidazol-1-yl)aniline
CID 320165
2-(1H-imidazol-2-yl)pyridine
CID 589313
4-(2-(4-tert-Butylphenylamino)ethyl)-1H-imidazole
CID 46222045
1-(4-Fluorophenyl)imidazole
CID 140833
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
4-(1H-imidazol-4-ylmethyl)aniline
CID 12232304
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The IUPAC name of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline (CID 24947327) is 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The InChIKey is VRTRCQWZSDTCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-11(14)4-6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline has a molecular weight of 233.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 24947327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).