N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine

C15H13F2N3 — CID 133410613

IUPACN-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(F)c(CCNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H13F2N3/c16-11-5-6-12(17)10(9-11)7-8-18-15-19-13-3-1-2-4-14(13)20-15/h1-6,9H,7-8H2,(H2,18,19,20)
InChIKeyJRZIDOSIHXHJSY-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine

N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 133410613) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID133410613
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(F)c(CCNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H13F2N3/c16-11-5-6-12(17)10(9-11)7-8-18-15-19-13-3-1-2-4-14(13)20-15/h1-6,9H,7-8H2,(H2,18,19,20)
InChIKeyJRZIDOSIHXHJSY-UHFFFAOYSA-N
XLogP3.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 115143891
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 103868134
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine (CID 133410613) is N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine is Fc1ccc(F)c(CCNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is JRZIDOSIHXHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-11-5-6-12(17)10(9-11)7-8-18-15-19-13-3-1-2-4-14(13)20-15/h1-6,9H,7-8H2,(H2,18,19,20).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine?
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).