4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine

C14H13FN4 — CID 115123826

IUPAC4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine
SMILESCN(c1ccc(N)c(F)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H13FN4/c1-19(9-2-4-12(16)11(15)6-9)10-3-5-13-14(7-10)18-8-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyWWQNBUARULGZKP-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.05
Rot. Bonds2

About 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine

4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine (PubChem CID 115123826) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine
PubChem CID115123826
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine
SMILESCN(c1ccc(N)c(F)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H13FN4/c1-19(9-2-4-12(16)11(15)6-9)10-3-5-13-14(7-10)18-8-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyWWQNBUARULGZKP-UHFFFAOYSA-N
XLogP3.05
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzimidazole
CID 5798
Meiqx
CID 62275
5-Nitrobenzimidazole
CID 7195
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-(2'-Pyridyl)benzimidazole
CID 70821
1-Phenyl-1H-benzoimidazole
CID 606669
5-Amino-2-(trifluoromethyl)benzimidazole
CID 19345
N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
CID 672245
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453
1H-1,3-benzodiazole-5,6-diamine
CID 2773193
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
5-Aminobenzimidazole hydrochloride
CID 459458

Frequently Asked Questions

What is the IUPAC name of 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine (CID 115123826) is 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine is CN(c1ccc(N)c(F)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
The InChIKey is WWQNBUARULGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-19(9-2-4-12(16)11(15)6-9)10-3-5-13-14(7-10)18-8-17-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine has a molecular weight of 256.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 115123826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).