2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline

C10H9ClFN3 — CID 62762095

IUPAC2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
SMILESFc1ccc(NCc2cnc[nH]2)c(Cl)c1
InChIInChI=1S/C10H9ClFN3/c11-9-3-7(12)1-2-10(9)14-5-8-4-13-6-15-8/h1-4,6,14H,5H2,(H,13,15)
InChIKeyUBAPRYXHQBSXJD-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline

2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 62762095) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID62762095
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
SMILESFc1ccc(NCc2cnc[nH]2)c(Cl)c1
InChIInChI=1S/C10H9ClFN3/c11-9-3-7(12)1-2-10(9)14-5-8-4-13-6-15-8/h1-4,6,14H,5H2,(H,13,15)
InChIKeyUBAPRYXHQBSXJD-UHFFFAOYSA-N
XLogP2.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211
2-chloro-N-(1H-imidazol-5-ylmethyl)-4-iodoaniline
CID 62761938
3-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24945906
2-chloro-N-(1H-imidazol-5-ylmethyl)-4,5-dimethoxyaniline
CID 62762289
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
CID 62763734
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
2,3-difluoro-4-(1H-imidazol-5-ylmethylamino)benzoic acid
CID 79840872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline (CID 62762095) is 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline is Fc1ccc(NCc2cnc[nH]2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is UBAPRYXHQBSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-9-3-7(12)1-2-10(9)14-5-8-4-13-6-15-8/h1-4,6,14H,5H2,(H,13,15).
What are the key properties of 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 225.65 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 62762095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).