5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine

C16H17FN4 — CID 107811482

IUPAC5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
SMILESCCCn1c(-c2cc(N)cc(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H17FN4/c1-2-5-21-15-4-3-11(17)8-14(15)20-16(21)10-6-12(18)9-13(19)7-10/h3-4,6-9H,2,5,18-19H2,1H3
InChIKeyZLNHGVFJSBODAK-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.42
Rot. Bonds3

About 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine

5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine (PubChem CID 107811482) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
PubChem CID107811482
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
SMILESCCCn1c(-c2cc(N)cc(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H17FN4/c1-2-5-21-15-4-3-11(17)8-14(15)20-16(21)10-6-12(18)9-13(19)7-10/h3-4,6-9H,2,5,18-19H2,1H3
InChIKeyZLNHGVFJSBODAK-UHFFFAOYSA-N
XLogP3.42
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427809
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
CID 60835546
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine (CID 107811482) is 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine is CCCn1c(-c2cc(N)cc(N)c2)nc2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine?
The InChIKey is ZLNHGVFJSBODAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-2-5-21-15-4-3-11(17)8-14(15)20-16(21)10-6-12(18)9-13(19)7-10/h3-4,6-9H,2,5,18-19H2,1H3.
What are the key properties of 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine?
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine has a molecular weight of 284.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 107811482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).