2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline

C17H16FN3 — CID 60785396

IUPAC2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3c(F)cccc3n2C2CC2)c1N
InChIInChI=1S/C17H16FN3/c1-10-4-2-5-12(15(10)19)17-20-16-13(18)6-3-7-14(16)21(17)11-8-9-11/h2-7,11H,8-9,19H2,1H3
InChIKeyXFMNAQGPHSGUFA-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.07
Rot. Bonds2

About 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline

2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline (PubChem CID 60785396) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
PubChem CID60785396
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3c(F)cccc3n2C2CC2)c1N
InChIInChI=1S/C17H16FN3/c1-10-4-2-5-12(15(10)19)17-20-16-13(18)6-3-7-14(16)21(17)11-8-9-11/h2-7,11H,8-9,19H2,1H3
InChIKeyXFMNAQGPHSGUFA-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.07
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

2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
CID 63112874
4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
CID 60862547
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pyridin-3-amine
CID 104740713
5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol
CID 60784309
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline
CID 81497616
3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261178
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 84796160
(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
CID 60785108

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline?
The IUPAC name of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline (CID 60785396) is 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline.
What is the SMILES notation for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline?
The canonical SMILES for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline is Cc1cccc(-c2nc3c(F)cccc3n2C2CC2)c1N.
What is the InChIKey of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline?
The InChIKey is XFMNAQGPHSGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-10-4-2-5-12(15(10)19)17-20-16-13(18)6-3-7-14(16)21(17)11-8-9-11/h2-7,11H,8-9,19H2,1H3.
What are the key properties of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline?
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline has a molecular weight of 281.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline is sourced from PubChem (CID 60785396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).