5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline

C17H18FN3 — CID 60784700

IUPAC5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
SMILESCCCn1c(-c2ccc(C)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C17H18FN3/c1-3-8-21-16-7-6-13(18)10-15(16)20-17(21)12-5-4-11(2)14(19)9-12/h4-7,9-10H,3,8,19H2,1-2H3
InChIKeyNQVMBZNSGWBBKE-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.14
Rot. Bonds3

About 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline

5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline (PubChem CID 60784700) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
PubChem CID60784700
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
SMILESCCCn1c(-c2ccc(C)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C17H18FN3/c1-3-8-21-16-7-6-13(18)10-15(16)20-17(21)12-5-4-11(2)14(19)9-12/h4-7,9-10H,3,8,19H2,1-2H3
InChIKeyNQVMBZNSGWBBKE-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
CID 60835546
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
CID 82333570
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline (CID 60784700) is 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline is CCCn1c(-c2ccc(C)c(N)c2)nc2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline?
The InChIKey is NQVMBZNSGWBBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-3-8-21-16-7-6-13(18)10-15(16)20-17(21)12-5-4-11(2)14(19)9-12/h4-7,9-10H,3,8,19H2,1-2H3.
What are the key properties of 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline?
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline has a molecular weight of 283.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 60784700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).