1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine

C15H13ClFN3 — CID 61380518

IUPAC1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1CCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFN3/c16-11-6-4-10(5-7-11)8-9-20-13-3-1-2-12(17)14(13)19-15(20)18/h1-7H,8-9H2,(H2,18,19)
InChIKeyMZNBHNAEZBMQFU-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.65
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine

1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine (PubChem CID 61380518) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
PubChem CID61380518
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1CCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFN3/c16-11-6-4-10(5-7-11)8-9-20-13-3-1-2-12(17)14(13)19-15(20)18/h1-7H,8-9H2,(H2,18,19)
InChIKeyMZNBHNAEZBMQFU-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65997
Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
Chlormidazole
CID 71821
Tecastemizole
CID 123618
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Chlorfenazole
CID 77123
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine (CID 61380518) is 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine?
The InChIKey is MZNBHNAEZBMQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-11-6-4-10(5-7-11)8-9-20-13-3-1-2-12(17)14(13)19-15(20)18/h1-7H,8-9H2,(H2,18,19).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine?
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine has a molecular weight of 289.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 61380518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).