5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine

C14H17BrFN3 — CID 82973144

IUPAC5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cc(Br)ccc2F)CN=C(N)N1CC1CC1
InChIInChI=1S/C14H17BrFN3/c1-14(11-6-10(15)4-5-12(11)16)8-18-13(17)19(14)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18)
InChIKeyOSMCUCIOERKIEN-UHFFFAOYSA-N
MW326.21 g/mol
LogP2.84
Rot. Bonds3

About 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine

5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 82973144) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID82973144
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cc(Br)ccc2F)CN=C(N)N1CC1CC1
InChIInChI=1S/C14H17BrFN3/c1-14(11-6-10(15)4-5-12(11)16)8-18-13(17)19(14)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18)
InChIKeyOSMCUCIOERKIEN-UHFFFAOYSA-N
XLogP2.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-Bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386448
(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135387194
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
1-[(3-Bromo-4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765072
1-[(5-Bromo-2-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765707
1-[(3-bromophenyl)methyl]-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 117684549
1-[(4-Bromo-3-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
CID 166161676
1-[(3-Bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
CID 166161699
N'-[1-(3-bromo-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
CID 169245569
N'-[1-(3-bromophenyl)cyclopropyl]-N'-ethylethane-1,2-diamine
CID 170695993
1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568925
1-(3-bromo-4-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568926

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine (CID 82973144) is 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine is CC1(c2cc(Br)ccc2F)CN=C(N)N1CC1CC1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is OSMCUCIOERKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-14(11-6-10(15)4-5-12(11)16)8-18-13(17)19(14)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine?
5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 326.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 82973144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).