3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine

C16H13ClFN3 — CID 114488563

IUPAC3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
SMILESNc1c(-c2cccc(Cl)c2F)ncn1Cc1ccccc1
InChIInChI=1S/C16H13ClFN3/c17-13-8-4-7-12(14(13)18)15-16(19)21(10-20-15)9-11-5-2-1-3-6-11/h1-8,10H,9,19H2
InChIKeyHZAQGXHOXBPBDN-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.97
Rot. Bonds3

About 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine

3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine (PubChem CID 114488563) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
PubChem CID114488563
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
SMILESNc1c(-c2cccc(Cl)c2F)ncn1Cc1ccccc1
InChIInChI=1S/C16H13ClFN3/c17-13-8-4-7-12(14(13)18)15-16(19)21(10-20-15)9-11-5-2-1-3-6-11/h1-8,10H,9,19H2
InChIKeyHZAQGXHOXBPBDN-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine
CID 62017945
3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62017944
3-benzyl-5-(2,6-difluorophenyl)imidazol-4-amine
CID 62019787
4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
CID 114488623
3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
CID 114488561
5-(2-chlorophenyl)-3-ethylimidazol-4-amine
CID 62018842
5-(2-chlorophenyl)-3-propylimidazol-4-amine
CID 62017724
3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine
CID 115990627
3-(3-chloro-2-fluorophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 81267627
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468
3-benzyl-5-ethylimidazol-4-amine
CID 58192367
5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 114488583

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine (CID 114488563) is 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine is Nc1c(-c2cccc(Cl)c2F)ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
The InChIKey is HZAQGXHOXBPBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-13-8-4-7-12(14(13)18)15-16(19)21(10-20-15)9-11-5-2-1-3-6-11/h1-8,10H,9,19H2.
What are the key properties of 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine?
3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine has a molecular weight of 301.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine is sourced from PubChem (CID 114488563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).