N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

C19H18Cl2FN3O — CID 4034868

IUPACN-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2FN3O/c1-26-10-9-25-17(13-5-7-15(22)8-6-13)12-24-19(25)23-11-14-3-2-4-16(20)18(14)21/h2-8,12H,9-11H2,1H3,(H,23,24)
InChIKeyBFFDCPIFGNNJJL-UHFFFAOYSA-N
MW394.28 g/mol
LogP5.25
Rot. Bonds7

About N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 4034868) has the molecular formula C19H18Cl2FN3O and a molecular weight of 394.28 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID4034868
Molecular FormulaC19H18Cl2FN3O
Molecular Weight394.28 g/mol
Exact Mass393.08
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2FN3O/c1-26-10-9-25-17(13-5-7-15(22)8-6-13)12-24-19(25)23-11-14-3-2-4-16(20)18(14)21/h2-8,12H,9-11H2,1H3,(H,23,24)
InChIKeyBFFDCPIFGNNJJL-UHFFFAOYSA-N
XLogP5.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 5042199
5-(4-fluorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4539990
4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3284600
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine
CID 3884020
4-chloro-2-[[[1-(2-methoxyethyl)-5-phenylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327011
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4691572
2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327488
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643106
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 4034868) is N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is BFFDCPIFGNNJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O/c1-26-10-9-25-17(13-5-7-15(22)8-6-13)12-24-19(25)23-11-14-3-2-4-16(20)18(14)21/h2-8,12H,9-11H2,1H3,(H,23,24).
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 394.28 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 4034868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).