2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine

C13H9ClFN3 — CID 81267619

IUPAC2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cccc(Cl)c3F)nc12
InChIInChI=1S/C13H9ClFN3/c14-8-4-1-3-7(11(8)15)13-17-10-6-2-5-9(16)12(10)18-13/h1-6H,16H2,(H,17,18)
InChIKeyFXZYGZDNNKVRKR-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.60
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine

2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine (PubChem CID 81267619) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
PubChem CID81267619
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cccc(Cl)c3F)nc12
InChIInChI=1S/C13H9ClFN3/c14-8-4-1-3-7(11(8)15)13-17-10-6-2-5-9(16)12(10)18-13/h1-6H,16H2,(H,17,18)
InChIKeyFXZYGZDNNKVRKR-UHFFFAOYSA-N
XLogP3.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
CID 63694063
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
CID 63693175
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(4-chloro-1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
CID 60786590
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine (CID 81267619) is 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(-c3cccc(Cl)c3F)nc12.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine?
The InChIKey is FXZYGZDNNKVRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-8-4-1-3-7(11(8)15)13-17-10-6-2-5-9(16)12(10)18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine?
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine has a molecular weight of 261.69 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 81267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).