N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine

C13H9F2N3 — CID 15604437

IUPACN-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
SMILESFc1cc(F)cc(Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H9F2N3/c14-8-5-9(15)7-10(6-8)16-13-17-11-3-1-2-4-12(11)18-13/h1-7H,(H2,16,17,18)
InChIKeyVDELLUVTWLBIHA-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.58
Rot. Bonds2

About N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine

N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine (PubChem CID 15604437) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
PubChem CID15604437
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC NameN-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
SMILESFc1cc(F)cc(Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C13H9F2N3/c14-8-5-9(15)7-10(6-8)16-13-17-11-3-1-2-4-12(11)18-13/h1-7H,(H2,16,17,18)
InChIKeyVDELLUVTWLBIHA-UHFFFAOYSA-N
XLogP3.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865262
2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine
CID 177346625
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine (CID 15604437) is N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine is Fc1cc(F)cc(Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine?
The InChIKey is VDELLUVTWLBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-8-5-9(15)7-10(6-8)16-13-17-11-3-1-2-4-12(11)18-13/h1-7H,(H2,16,17,18).
What are the key properties of N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine?
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine has a molecular weight of 245.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 15604437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).