5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

C15H13ClFN3S — CID 43775963

IUPAC5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCn1ccnc1C(Nc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C15H13ClFN3S/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-9-10(16)4-5-11(12)17/h2-9,14,19H,1H3
InChIKeyKFHZIRIPHHCCDY-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.48
Rot. Bonds4

About 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (PubChem CID 43775963) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
PubChem CID43775963
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCn1ccnc1C(Nc1cc(Cl)ccc1F)c1cccs1
InChIInChI=1S/C15H13ClFN3S/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-9-10(16)4-5-11(12)17/h2-9,14,19H,1H3
InChIKeyKFHZIRIPHHCCDY-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43772741
2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 81270186
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
CID 63999346
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (CID 43775963) is 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is Cn1ccnc1C(Nc1cc(Cl)ccc1F)c1cccs1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The InChIKey is KFHZIRIPHHCCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-9-10(16)4-5-11(12)17/h2-9,14,19H,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline has a molecular weight of 321.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is sourced from PubChem (CID 43775963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).