(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine

C12H12ClF2N3 — CID 82772685

IUPAC(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H12ClF2N3/c1-2-18-4-3-17-12(18)11(16)7-5-10(15)8(13)6-9(7)14/h3-6,11H,2,16H2,1H3
InChIKeyCOJUVCIOQUMENR-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.88
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine

(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine (PubChem CID 82772685) has the molecular formula C12H12ClF2N3 and a molecular weight of 271.70 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
PubChem CID82772685
Molecular FormulaC12H12ClF2N3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H12ClF2N3/c1-2-18-4-3-17-12(18)11(16)7-5-10(15)8(13)6-9(7)14/h3-6,11H,2,16H2,1H3
InChIKeyCOJUVCIOQUMENR-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
CID 61316093
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114019284
(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79206936
[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323392
(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114020081
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
CID 63215997
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105215277

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine (CID 82772685) is (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine is CCn1ccnc1C(N)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The InChIKey is COJUVCIOQUMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3/c1-2-18-4-3-17-12(18)11(16)7-5-10(15)8(13)6-9(7)14/h3-6,11H,2,16H2,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine has a molecular weight of 271.70 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine is sourced from PubChem (CID 82772685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).