2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline

C10H8ClF2N3 — CID 83081720

IUPAC2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C10H8ClF2N3/c11-7-3-6(12)4-8(13)10(7)16-5-9-14-1-2-15-9/h1-4,16H,5H2,(H,14,15)
InChIKeyMMSURZQPKQWFFL-UHFFFAOYSA-N
MW243.64 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline

2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 83081720) has the molecular formula C10H8ClF2N3 and a molecular weight of 243.64 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID83081720
Molecular FormulaC10H8ClF2N3
Molecular Weight243.64 g/mol
Exact Mass243.04
IUPAC Name2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C10H8ClF2N3/c11-7-3-6(12)4-8(13)10(7)16-5-9-14-1-2-15-9/h1-4,16H,5H2,(H,14,15)
InChIKeyMMSURZQPKQWFFL-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83076307
2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 83081963
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 83072892
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 64531503
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline (CID 83081720) is 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline is Fc1cc(F)c(NCc2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is MMSURZQPKQWFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3/c11-7-3-6(12)4-8(13)10(7)16-5-9-14-1-2-15-9/h1-4,16H,5H2,(H,14,15).
What are the key properties of 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline?
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 243.64 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 83081720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).