N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine

C13H15BrFN3 — CID 12674639

IUPACN-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(Br)c1N(CC1CC1)C1=NCCN1
InChIInChI=1S/C13H15BrFN3/c14-10-2-1-3-11(15)12(10)18(8-9-4-5-9)13-16-6-7-17-13/h1-3,9H,4-8H2,(H,16,17)
InChIKeyFPKLYRAAONTDLC-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.76
Rot. Bonds3

About N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12674639) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12674639
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC NameN-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(Br)c1N(CC1CC1)C1=NCCN1
InChIInChI=1S/C13H15BrFN3/c14-10-2-1-3-11(15)12(10)18(8-9-4-5-9)13-16-6-7-17-13/h1-3,9H,4-8H2,(H,16,17)
InChIKeyFPKLYRAAONTDLC-UHFFFAOYSA-N
XLogP2.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 12674639) is N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(Br)c1N(CC1CC1)C1=NCCN1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FPKLYRAAONTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c14-10-2-1-3-11(15)12(10)18(8-9-4-5-9)13-16-6-7-17-13/h1-3,9H,4-8H2,(H,16,17).
What are the key properties of N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).