N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide

C16H18Br2Cl2N4O2 — CID 70548419

IUPACN-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide
SMILESBr.Br.COc1cccnc1CON1CCN=C1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N4O2.2BrH/c1-23-14-6-3-7-19-13(14)10-24-22-9-8-20-16(22)21-15-11(17)4-2-5-12(15)18;;/h2-7H,8-10H2,1H3,(H,20,21);2*1H
InChIKeyNGRZFZNPTLKAGT-UHFFFAOYSA-N
MW529.06 g/mol
LogP4.77
Rot. Bonds5

About N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide

N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide (PubChem CID 70548419) has the molecular formula C16H18Br2Cl2N4O2 and a molecular weight of 529.06 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide
PubChem CID70548419
Molecular FormulaC16H18Br2Cl2N4O2
Molecular Weight529.06 g/mol
Exact Mass525.92
IUPAC NameN-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide
SMILESBr.Br.COc1cccnc1CON1CCN=C1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N4O2.2BrH/c1-23-14-6-3-7-19-13(14)10-24-22-9-8-20-16(22)21-15-11(17)4-2-5-12(15)18;;/h2-7H,8-10H2,1H3,(H,20,21);2*1H
InChIKeyNGRZFZNPTLKAGT-UHFFFAOYSA-N
XLogP4.77
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.06
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-1-[(4-methyl-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine
CID 56610280
N-(2,6-diethylphenyl)-1-(pyridin-2-ylmethoxy)-4,5-dihydroimidazol-2-amine
CID 56636810
N-(2,6-dichlorophenyl)-1-[(1-hydroxy-4-methyl-2H-pyridin-6-yl)methoxy]-4,5-dihydroimidazol-2-amine
CID 173421195
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
CID 155716510
N-(2,6-diethylphenyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 20513874
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
CID 13189171
1-(3-methoxy-2-pyridinyl)-N,N-dimethylmethanamine
CID 130666799
2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 58562175
ethane;2-ethyl-3-methoxypyridine
CID 144504427
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide (CID 70548419) is N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide is Br.Br.COc1cccnc1CON1CCN=C1Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide?
The InChIKey is NGRZFZNPTLKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2.2BrH/c1-23-14-6-3-7-19-13(14)10-24-22-9-8-20-16(22)21-15-11(17)4-2-5-12(15)18;;/h2-7H,8-10H2,1H3,(H,20,21);2*1H.
What are the key properties of N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide?
N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide has a molecular weight of 529.06 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide is sourced from PubChem (CID 70548419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).