2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine

C13H11FN4 — CID 171780777

IUPAC2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine
SMILESNc1ccc(-c2nc3c(F)c(N)ccc3[nH]2)cc1
InChIInChI=1S/C13H11FN4/c14-11-9(16)5-6-10-12(11)18-13(17-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2,(H,17,18)
InChIKeyYANBMCZNERKQMW-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.53
Rot. Bonds1

About 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine

2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine (PubChem CID 171780777) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine
PubChem CID171780777
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine
SMILESNc1ccc(-c2nc3c(F)c(N)ccc3[nH]2)cc1
InChIInChI=1S/C13H11FN4/c14-11-9(16)5-6-10-12(11)18-13(17-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2,(H,17,18)
InChIKeyYANBMCZNERKQMW-UHFFFAOYSA-N
XLogP2.53
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
4-(1H-naphtho[2,1-e]benzimidazol-2-yl)aniline
CID 154631953
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine
CID 171780781

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine?
The IUPAC name of 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine (CID 171780777) is 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine is Nc1ccc(-c2nc3c(F)c(N)ccc3[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine?
The InChIKey is YANBMCZNERKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-11-9(16)5-6-10-12(11)18-13(17-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2,(H,17,18).
What are the key properties of 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine?
2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine has a molecular weight of 242.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine is sourced from PubChem (CID 171780777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).